/* POV-Ray - 3.5 Scene Description File written by Ortep-3 for Windows (Version 2.02) Copyright (C) 1997-2008 Louis J. Farrugia Department of Chemistry, Glasgow University (all rights reserved) Input file : \\niobium\work\niobium\si4nb16.pdb Creation date : Tuesday, 12 January 2010 Creation time : 13:06:51 */ #version 3.5 ; #include "colors.inc" #include "textures.inc" #include "metals.inc" #declare Bond_Texture = texture { pigment {color Wheat } finish { Metal } } #declare HBond_Texture = texture { pigment {color White } finish { Metal } } #declare Equator_Texture = texture { pigment {color White } finish { Shiny } } #declare Cutout_Texture = texture { pigment {color SteelBlue } finish { Shiny } } #declare Texture_Nb = texture { pigment {color Gray65 } finish { Shiny } } #declare Texture_Si = texture { pigment {color Orange } finish { Shiny } } #declare Texture_O = texture { pigment {color Red } finish { Shiny } } #declare Texture_H = texture { pigment {color Wheat } finish { Shiny } } #declare H_Radius = 0.150; #declare HBond_Radius = 0.016; #declare Bond_Radius = 0.040; #declare Text_Colour = White; #declare Text_Scale = 0.21; #declare Text_Width = 0.01; #declare Text_Font = "cyrvetic.ttf"; #declare Bond_Truncate = 0; #declare View_Distance = 46.07; global_settings { assumed_gamma 2.2 ambient_light rgb < 1, 1, 1 > } camera { location < 0.0 , 0.0 , View_Distance > angle 20.0 up < 0.0 , 1.0 , 0.0 > right <-1.33, 0.0 , 0.0 > look_at < 0.0 , 0.0 , 0.0 > } background { color White } light_source { < 0.0, 0.0, 100.0 > color red 2.0 green 2.0 blue 2.0 } light_source { < 0.0, 100.0, 0.0 > color red 2.0 green 2.0 blue 2.0 } union { /* Thermal ellipsoid for atom # 1 O43 at -1.2389 0.0171 0.0162 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 0.9879, 0.9986, -4.3095 > } /* Thermal ellipsoid for atom # 2 O60 at -1.1922 0.0297 0.3414 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -1.6421, 0.9660, -4.1328 > } /* Thermal ellipsoid for atom # 3 O36 at -1.0769 -0.1730 -0.1239 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 2.0676, -0.7308, -3.2532 > } /* Thermal ellipsoid for atom # 4 H78 at -1.1347 0.3398 0.0703 Eigenvalues 0.0100 0.0100 0.0100 RMS displacements 0.0999 0.1001 0.1001 ORTEP ellipsoid style 704 */ object { sphere { < 0.0, 0.0, 0.0 >, H_Radius } texture { Texture_H } scale < 0.8018, 0.8018, 0.8018 > translate < 0.3973, 3.3554, -3.0146 > } /* Thermal ellipsoid for atom # 5 O29 at -0.9802 -0.4085 -0.2711 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 3.2564, -2.7102, -2.7760 > } /* Thermal ellipsoid for atom # 6 Nb7 at -1.0694 -0.0192 -0.0091 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.8018, 0.8018, 0.8018 > } translate < 1.0999, 0.4450, -3.0235 > } /* Thermal ellipsoid for atom # 7 O66 at -0.9932 -0.1374 0.4476 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -2.5592, -0.6850, -2.9086 > } /* Thermal ellipsoid for atom # 8 O52 at -1.0284 -0.1352 0.1610 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -0.2490, -0.5614, -2.9964 > } /* Thermal ellipsoid for atom # 9 Nb11 at -1.0189 0.0033 0.3195 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.8018, 0.8018, 0.8018 > } translate < -1.5624, 0.4834, -2.8035 > } /* Thermal ellipsoid for atom # 10 O48 at -1.0824 0.3627 0.1292 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -0.1113, 3.4409, -2.6064 > } /* Thermal ellipsoid for atom # 11 O74 at -0.8582 -0.3442 0.5999 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -3.7948, -2.5527, -2.2784 > } /* Thermal ellipsoid for atom # 12 O44 at -0.9292 -0.3590 0.0116 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 0.9525, -2.4526, -2.4796 > } /* Thermal ellipsoid for atom # 13 O35 at -1.0169 0.1040 -0.1421 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 2.0946, 1.3509, -2.3307 > } /* Thermal ellipsoid for atom # 14 O59 at -0.8846 -0.3387 0.3053 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -1.4269, -2.4159, -2.2869 > } /* Thermal ellipsoid for atom # 15 O50 at -0.9905 0.1148 0.1379 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -0.1616, 1.3447, -2.2868 > } /* Thermal ellipsoid for atom # 16 Nb5 at -0.9123 -0.2708 -0.1798 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.8018, 0.8018, 0.8018 > } translate < 2.4454, -1.7541, -2.0838 > } /* Thermal ellipsoid for atom # 17 O64 at -0.9438 0.1476 0.4140 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -2.4053, 1.4792, -2.0464 > } /* Thermal ellipsoid for atom # 18 O28 at -1.0155 0.3625 -0.2704 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 3.0417, 3.4008, -1.8257 > } /* Thermal ellipsoid for atom # 19 Nb9 at -0.8641 -0.2488 0.1460 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.8018, 0.8018, 0.8018 > } translate < -0.1931, -1.7154, -1.8808 > } /* Thermal ellipsoid for atom # 20 Nb15 at -0.8137 -0.2261 0.4748 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.8018, 0.8018, 0.8018 > } translate < -2.8570, -1.6753, -1.6615 > } /* Thermal ellipsoid for atom # 21 Si19 at -0.9429 0.2725 0.1175 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Si } scale < 0.8018, 0.8018, 0.8018 > } translate < -0.0740, 2.5100, -1.6499 > } /* Thermal ellipsoid for atom # 22 O27 at -0.8807 -0.1422 -0.3162 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 3.4780, -0.7715, -1.5439 > } /* Thermal ellipsoid for atom # 23 O69 at -0.8995 0.4230 0.4939 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -3.1522, 3.5567, -1.3125 > } /* Thermal ellipsoid for atom # 24 O23 at -0.8902 0.1320 -0.3807 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 3.9172, 1.4082, -1.1404 > } /* Thermal ellipsoid for atom # 25 O42 at -0.8345 -0.1075 -0.0249 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 1.1126, -0.6239, -1.3142 > } /* Thermal ellipsoid for atom # 26 Nb3 at -0.8955 0.2434 -0.2178 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.8018, 0.8018, 0.8018 > } translate < 2.5855, 2.2632, -1.1093 > } /* Thermal ellipsoid for atom # 27 O73 at -0.7463 -0.0780 0.5745 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -3.7380, -0.6381, -0.9620 > } /* Thermal ellipsoid for atom # 28 O58 at -0.7915 -0.0849 0.2753 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -1.3183, -0.5677, -1.1345 > } /* Thermal ellipsoid for atom # 29 O41 at -0.8748 0.2962 -0.0256 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 1.0217, 2.6112, -0.9868 > } /* Thermal ellipsoid for atom # 30 O55 at -0.8384 0.3144 0.2317 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -1.0612, 2.6509, -0.8382 > } /* Thermal ellipsoid for atom # 31 O21 at -0.7842 -0.0567 -0.5699 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 5.4221, -0.2115, -0.4888 > } /* Thermal ellipsoid for atom # 32 Nb13 at -0.8031 0.2914 0.4269 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.8018, 0.8018, 0.8018 > } translate < -2.6350, 2.3797, -0.7239 > } /* Thermal ellipsoid for atom # 33 O33 at -0.7246 -0.3259 -0.1775 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 2.3317, -2.4894, -0.7029 > } /* Thermal ellipsoid for atom # 34 O75 at -0.7469 0.2015 0.5950 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -3.9848, 1.5541, -0.5350 > } /* Thermal ellipsoid for atom # 35 Nb1 at -0.7574 -0.0115 -0.4022 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.8018, 0.8018, 0.8018 > } translate < 4.0527, 0.0712, -0.3149 > } /* Thermal ellipsoid for atom # 36 O51 at -0.6782 -0.2854 0.1203 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -0.0875, -2.2977, -0.4666 > } /* Thermal ellipsoid for atom # 37 O68 at -0.6334 -0.2841 0.4275 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -2.5691, -2.4128, -0.3113 > } /* Thermal ellipsoid for atom # 38 Si17 at -0.6992 -0.0126 -0.0483 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Si } scale < 0.8018, 0.8018, 0.8018 > } translate < 1.1907, -0.0925, -0.0884 > } /* Thermal ellipsoid for atom # 39 O34 at -0.7190 0.0814 -0.1764 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 2.1980, 0.6998, -0.0115 > } /* Thermal ellipsoid for atom # 40 O76 at -0.5701 0.0511 0.7658 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -5.4099, 0.0588, 0.5004 > } /* Thermal ellipsoid for atom # 41 Si20 at -0.6568 0.0095 0.2446 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Si } scale < 0.8018, 0.8018, 0.8018 > } translate < -1.1814, -0.0380, 0.0904 > } /* Thermal ellipsoid for atom # 42 Nb16 at -0.6062 0.0655 0.5932 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.8018, 0.8018, 0.8018 > } translate < -4.0136, 0.2599, 0.3517 > } /* Thermal ellipsoid for atom # 43 O49 at -0.6810 0.0718 0.0946 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 0.0129, 0.5162, 0.0965 > } /* Thermal ellipsoid for atom # 44 O30 at -0.7292 0.3369 -0.2684 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 2.8629, 2.7385, 0.3745 > } /* Thermal ellipsoid for atom # 45 O62 at -0.6399 0.1222 0.3597 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -2.1448, 0.7999, 0.3282 > } /* Thermal ellipsoid for atom # 46 O24 at -0.6114 -0.1424 -0.3551 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 3.6285, -1.1999, 0.5899 > } /* Thermal ellipsoid for atom # 47 O26 at -0.5108 -0.4134 -0.3421 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 3.5456, -3.4922, 0.9381 > } /* Thermal ellipsoid for atom # 48 O65 at -0.6328 0.3882 0.4088 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -2.6207, 2.8687, 0.7756 > } /* Thermal ellipsoid for atom # 49 Nb4 at -0.5468 -0.2764 -0.2345 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.8018, 0.8018, 0.8018 > } translate < 2.6664, -2.3771, 0.8050 > } /* Thermal ellipsoid for atom # 50 O22 at -0.6165 0.1275 -0.4247 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 4.1071, 0.9398, 1.0244 > } /* Thermal ellipsoid for atom # 51 O39 at -0.5668 -0.1108 -0.0638 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 1.2650, -1.0741, 0.8022 > } /* Thermal ellipsoid for atom # 52 O40 at -0.4725 -0.3638 -0.0535 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 1.2021, -3.2144, 1.1314 > } /* Thermal ellipsoid for atom # 53 Nb8 at -0.4944 -0.2541 0.0913 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.8018, 0.8018, 0.8018 > } translate < 0.0254, -2.3428, 1.0414 > } /* Thermal ellipsoid for atom # 54 O70 at -0.4773 -0.0737 0.5252 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -3.5055, -1.0289, 1.1833 > } /* Thermal ellipsoid for atom # 55 O56 at -0.5219 -0.0845 0.2354 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -1.1602, -0.9917, 1.0033 > } /* Thermal ellipsoid for atom # 56 Nb14 at -0.4469 -0.2276 0.4192 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.8018, 0.8018, 0.8018 > } translate < -2.6307, -2.2680, 1.2446 > } /* Thermal ellipsoid for atom # 57 O57 at -0.4291 -0.3394 0.2392 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -1.1698, -3.1434, 1.3219 > } /* Thermal ellipsoid for atom # 58 O71 at -0.3705 -0.3433 0.5297 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -3.5246, -3.3187, 1.5878 > } /* Thermal ellipsoid for atom # 59 Nb2 at -0.5569 0.2346 -0.2698 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.8018, 0.8018, 0.8018 > } translate < 2.8020, 1.6580, 1.5620 > } /* Thermal ellipsoid for atom # 60 O72 at -0.4695 0.2044 0.5506 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -3.7961, 1.1379, 1.6708 > } /* Thermal ellipsoid for atom # 61 O38 at -0.5208 0.2911 -0.0816 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 1.2599, 2.0109, 1.8136 > } /* Thermal ellipsoid for atom # 62 Nb12 at -0.4645 0.2932 0.3772 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.8018, 0.8018, 0.8018 > } translate < -2.4401, 1.8572, 1.9628 > } /* Thermal ellipsoid for atom # 63 O53 at -0.4842 0.3138 0.1773 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -0.8373, 2.0853, 1.9699 > } /* Thermal ellipsoid for atom # 64 O32 at -0.3629 -0.1857 -0.2327 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 2.5155, -1.9613, 2.3885 > } /* Thermal ellipsoid for atom # 65 O31 at -0.4238 0.0906 -0.2337 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 2.4773, 0.3066, 2.3520 > } /* Thermal ellipsoid for atom # 66 O25 at -0.4484 0.3486 -0.3535 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 3.3721, 2.3929, 2.6470 > } /* Thermal ellipsoid for atom # 67 Si18 at -0.4178 0.2632 0.0414 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Si } scale < 0.8018, 0.8018, 0.8018 > } translate < 0.2241, 1.6046, 2.4968 > } /* Thermal ellipsoid for atom # 68 O47 at -0.3272 -0.1422 0.0562 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 0.1729, -1.7272, 2.5515 > } /* Thermal ellipsoid for atom # 69 O46 at -0.3774 0.1048 0.0447 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 0.2210, 0.2952, 2.5589 > } /* Thermal ellipsoid for atom # 70 O63 at -0.2794 -0.1402 0.3436 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -2.1525, -1.8383, 2.7442 > } /* Thermal ellipsoid for atom # 71 O61 at -0.3410 0.1413 0.3222 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -2.0289, 0.4751, 2.7236 > } /* Thermal ellipsoid for atom # 72 Nb6 at -0.3394 -0.0319 -0.1201 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.8018, 0.8018, 0.8018 > } translate < 1.5559, -0.8109, 2.7449 > } /* Thermal ellipsoid for atom # 73 O67 at -0.3460 0.4178 0.4128 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -2.8323, 2.6387, 3.0663 > } /* Thermal ellipsoid for atom # 74 Nb10 at -0.2935 -0.0013 0.2118 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_Nb } scale < 0.8018, 0.8018, 0.8018 > } translate < -1.1325, -0.7020, 2.9397 > } /* Thermal ellipsoid for atom # 75 O45 at -0.2789 0.3498 0.0221 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 0.2697, 2.0644, 3.7349 > } /* Thermal ellipsoid for atom # 76 H77 at -0.2416 0.3267 -0.0471 Eigenvalues 0.0100 0.0100 0.0100 RMS displacements 0.0999 0.1001 0.1001 ORTEP ellipsoid style 704 */ object { sphere { < 0.0, 0.0, 0.0 >, H_Radius } texture { Texture_H } scale < 0.8018, 0.8018, 0.8018 > translate < 0.8073, 1.8349, 4.0347 > } /* Thermal ellipsoid for atom # 77 O37 at -0.1719 0.0088 -0.1494 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < 1.6781, -0.7559, 4.1404 > } /* Thermal ellipsoid for atom # 78 O54 at -0.1242 0.0355 0.1758 Eigenvalues 0.0300 0.0300 0.0300 RMS displacements 0.1731 0.1731 0.1732 ORTEP ellipsoid style 705 */ /* NO EQUATOR QUADRICS FOR THIS ATOM - DEGENERATE EIGENVALUES */ object { object { quadric { < 33.3333, 33.3333, 33.3333 >, < 0.0000, 0.0000, 0.0000 >, < 0.0000, 0.0000, 0.0000 >, -2.3661 } texture { Texture_O } scale < 0.8018, 0.8018, 0.8018 > } translate < -0.9567, -0.6794, 4.3473 > } /* Bond between O43 at 0.9879 0.9986 -4.3095 and Nb7 at 1.0999 0.4450 -3.0235 Distance = 1.752 A */ cylinder {< 0.9879, 0.9986, -4.3095 > < 1.0999, 0.4450, -3.0235 > Bond_Radius texture { Bond_Texture } } /* Bond between O60 at -1.6421 0.9660 -4.1328 and Nb11 at -1.5624 0.4834 -2.8035 Distance = 1.767 A */ cylinder {< -1.6421, 0.9660, -4.1328 > < -1.5624, 0.4834, -2.8035 > Bond_Radius texture { Bond_Texture } } /* Bond between O36 at 2.0676 -0.7308 -3.2532 and Nb7 at 1.0999 0.4450 -3.0235 Distance = 1.921 A */ cylinder {< 2.0676, -0.7308, -3.2532 > < 1.0999, 0.4450, -3.0235 > Bond_Radius texture { Bond_Texture } } /* Bond between O36 at 2.0676 -0.7308 -3.2532 and Nb5 at 2.4454 -1.7541 -2.0838 Distance = 1.995 A */ cylinder {< 2.0676, -0.7308, -3.2532 > < 2.4454, -1.7541, -2.0838 > Bond_Radius texture { Bond_Texture } } /* Bond between H78 at 0.3973 3.3554 -3.0146 and O48 at -0.1113 3.4409 -2.6064 Distance = 0.820 A */ cylinder {< 0.3973, 3.3554, -3.0146 > < -0.1113, 3.4409, -2.6064 > HBond_Radius texture { HBond_Texture } } /* Bond between O29 at 3.2564 -2.7102 -2.7760 and Nb5 at 2.4454 -1.7541 -2.0838 Distance = 1.786 A */ cylinder {< 3.2564, -2.7102, -2.7760 > < 2.4454, -1.7541, -2.0838 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb7 at 1.0999 0.4450 -3.0235 and O52 at -0.2490 -0.5614 -2.9964 Distance = 2.099 A */ cylinder {< 1.0999, 0.4450, -3.0235 > < -0.2490, -0.5614, -2.9964 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb7 at 1.0999 0.4450 -3.0235 and O35 at 2.0946 1.3509 -2.3307 Distance = 1.887 A */ cylinder {< 1.0999, 0.4450, -3.0235 > < 2.0946, 1.3509, -2.3307 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb7 at 1.0999 0.4450 -3.0235 and O50 at -0.1616 1.3447 -2.2868 Distance = 2.140 A */ cylinder {< 1.0999, 0.4450, -3.0235 > < -0.1616, 1.3447, -2.2868 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb7 at 1.0999 0.4450 -3.0235 and O42 at 1.1126 -0.6239 -1.3142 Distance = 2.514 A */ cylinder {< 1.0999, 0.4450, -3.0235 > < 1.1126, -0.6239, -1.3142 > Bond_Radius texture { Bond_Texture } } /* Bond between O66 at -2.5592 -0.6850 -2.9086 and Nb11 at -1.5624 0.4834 -2.8035 Distance = 1.920 A */ cylinder {< -2.5592, -0.6850, -2.9086 > < -1.5624, 0.4834, -2.8035 > Bond_Radius texture { Bond_Texture } } /* Bond between O66 at -2.5592 -0.6850 -2.9086 and Nb15 at -2.8570 -1.6753 -1.6615 Distance = 2.021 A */ cylinder {< -2.5592, -0.6850, -2.9086 > < -2.8570, -1.6753, -1.6615 > Bond_Radius texture { Bond_Texture } } /* Bond between O52 at -0.2490 -0.5614 -2.9964 and Nb11 at -1.5624 0.4834 -2.8035 Distance = 2.107 A */ cylinder {< -0.2490, -0.5614, -2.9964 > < -1.5624, 0.4834, -2.8035 > Bond_Radius texture { Bond_Texture } } /* Bond between O52 at -0.2490 -0.5614 -2.9964 and Nb9 at -0.1931 -1.7154 -1.8808 Distance = 2.003 A */ cylinder {< -0.2490, -0.5614, -2.9964 > < -0.1931, -1.7154, -1.8808 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb11 at -1.5624 0.4834 -2.8035 and O50 at -0.1616 1.3447 -2.2868 Distance = 2.150 A */ cylinder {< -1.5624, 0.4834, -2.8035 > < -0.1616, 1.3447, -2.2868 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb11 at -1.5624 0.4834 -2.8035 and O64 at -2.4053 1.4792 -2.0464 Distance = 1.881 A */ cylinder {< -1.5624, 0.4834, -2.8035 > < -2.4053, 1.4792, -2.0464 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb11 at -1.5624 0.4834 -2.8035 and O58 at -1.3183 -0.5677 -1.1345 Distance = 2.479 A */ cylinder {< -1.5624, 0.4834, -2.8035 > < -1.3183, -0.5677, -1.1345 > Bond_Radius texture { Bond_Texture } } /* Bond between O48 at -0.1113 3.4409 -2.6064 and Si19 at -0.0740 2.5100 -1.6499 Distance = 1.665 A */ cylinder {< -0.1113, 3.4409, -2.6064 > < -0.0740, 2.5100, -1.6499 > Bond_Radius texture { Bond_Texture } } /* Bond between O74 at -3.7948 -2.5527 -2.2784 and Nb15 at -2.8570 -1.6753 -1.6615 Distance = 1.777 A */ cylinder {< -3.7948, -2.5527, -2.2784 > < -2.8570, -1.6753, -1.6615 > Bond_Radius texture { Bond_Texture } } /* Bond between O44 at 0.9525 -2.4526 -2.4796 and Nb5 at 2.4454 -1.7541 -2.0838 Distance = 2.114 A */ cylinder {< 0.9525, -2.4526, -2.4796 > < 2.4454, -1.7541, -2.0838 > Bond_Radius texture { Bond_Texture } } /* Bond between O44 at 0.9525 -2.4526 -2.4796 and Nb9 at -0.1931 -1.7154 -1.8808 Distance = 1.856 A */ cylinder {< 0.9525, -2.4526, -2.4796 > < -0.1931, -1.7154, -1.8808 > Bond_Radius texture { Bond_Texture } } /* Bond between O35 at 2.0946 1.3509 -2.3307 and Nb3 at 2.5855 2.2632 -1.1093 Distance = 1.998 A */ cylinder {< 2.0946, 1.3509, -2.3307 > < 2.5855, 2.2632, -1.1093 > Bond_Radius texture { Bond_Texture } } /* Bond between O59 at -1.4269 -2.4159 -2.2869 and Nb9 at -0.1931 -1.7154 -1.8808 Distance = 1.841 A */ cylinder {< -1.4269, -2.4159, -2.2869 > < -0.1931, -1.7154, -1.8808 > Bond_Radius texture { Bond_Texture } } /* Bond between O59 at -1.4269 -2.4159 -2.2869 and Nb15 at -2.8570 -1.6753 -1.6615 Distance = 2.155 A */ cylinder {< -1.4269, -2.4159, -2.2869 > < -2.8570, -1.6753, -1.6615 > Bond_Radius texture { Bond_Texture } } /* Bond between O50 at -0.1616 1.3447 -2.2868 and Si19 at -0.0740 2.5100 -1.6499 Distance = 1.660 A */ cylinder {< -0.1616, 1.3447, -2.2868 > < -0.0740, 2.5100, -1.6499 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb5 at 2.4454 -1.7541 -2.0838 and O27 at 3.4780 -0.7715 -1.5439 Distance = 1.901 A */ cylinder {< 2.4454, -1.7541, -2.0838 > < 3.4780, -0.7715, -1.5439 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb5 at 2.4454 -1.7541 -2.0838 and O42 at 1.1126 -0.6239 -1.3142 Distance = 2.381 A */ cylinder {< 2.4454, -1.7541, -2.0838 > < 1.1126, -0.6239, -1.3142 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb5 at 2.4454 -1.7541 -2.0838 and O33 at 2.3317 -2.4894 -0.7029 Distance = 1.956 A */ cylinder {< 2.4454, -1.7541, -2.0838 > < 2.3317, -2.4894, -0.7029 > Bond_Radius texture { Bond_Texture } } /* Bond between O64 at -2.4053 1.4792 -2.0464 and Nb13 at -2.6350 2.3797 -0.7239 Distance = 2.016 A */ cylinder {< -2.4053, 1.4792, -2.0464 > < -2.6350, 2.3797, -0.7239 > Bond_Radius texture { Bond_Texture } } /* Bond between O28 at 3.0417 3.4008 -1.8257 and Nb3 at 2.5855 2.2632 -1.1093 Distance = 1.771 A */ cylinder {< 3.0417, 3.4008, -1.8257 > < 2.5855, 2.2632, -1.1093 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb9 at -0.1931 -1.7154 -1.8808 and O42 at 1.1126 -0.6239 -1.3142 Distance = 2.237 A */ cylinder {< -0.1931, -1.7154, -1.8808 > < 1.1126, -0.6239, -1.3142 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb9 at -0.1931 -1.7154 -1.8808 and O58 at -1.3183 -0.5677 -1.1345 Distance = 2.210 A */ cylinder {< -0.1931, -1.7154, -1.8808 > < -1.3183, -0.5677, -1.1345 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb9 at -0.1931 -1.7154 -1.8808 and O51 at -0.0875 -2.2977 -0.4666 Distance = 1.912 A */ cylinder {< -0.1931, -1.7154, -1.8808 > < -0.0875, -2.2977, -0.4666 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb15 at -2.8570 -1.6753 -1.6615 and O73 at -3.7380 -0.6381 -0.9620 Distance = 1.908 A */ cylinder {< -2.8570, -1.6753, -1.6615 > < -3.7380, -0.6381, -0.9620 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb15 at -2.8570 -1.6753 -1.6615 and O58 at -1.3183 -0.5677 -1.1345 Distance = 2.454 A */ cylinder {< -2.8570, -1.6753, -1.6615 > < -1.3183, -0.5677, -1.1345 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb15 at -2.8570 -1.6753 -1.6615 and O68 at -2.5691 -2.4128 -0.3113 Distance = 1.952 A */ cylinder {< -2.8570, -1.6753, -1.6615 > < -2.5691, -2.4128, -0.3113 > Bond_Radius texture { Bond_Texture } } /* Bond between Si19 at -0.0740 2.5100 -1.6499 and O41 at 1.0217 2.6112 -0.9868 Distance = 1.602 A */ cylinder {< -0.0740, 2.5100, -1.6499 > < 1.0217, 2.6112, -0.9868 > Bond_Radius texture { Bond_Texture } } /* Bond between Si19 at -0.0740 2.5100 -1.6499 and O55 at -1.0612 2.6509 -0.8382 Distance = 1.604 A */ cylinder {< -0.0740, 2.5100, -1.6499 > < -1.0612, 2.6509, -0.8382 > Bond_Radius texture { Bond_Texture } } /* Bond between O27 at 3.4780 -0.7715 -1.5439 and Nb1 at 4.0527 0.0712 -0.3149 Distance = 1.992 A */ cylinder {< 3.4780, -0.7715, -1.5439 > < 4.0527, 0.0712, -0.3149 > Bond_Radius texture { Bond_Texture } } /* Bond between O69 at -3.1522 3.5567 -1.3125 and Nb13 at -2.6350 2.3797 -0.7239 Distance = 1.764 A */ cylinder {< -3.1522, 3.5567, -1.3125 > < -2.6350, 2.3797, -0.7239 > Bond_Radius texture { Bond_Texture } } /* Bond between O23 at 3.9172 1.4082 -1.1404 and Nb3 at 2.5855 2.2632 -1.1093 Distance = 1.974 A */ cylinder {< 3.9172, 1.4082, -1.1404 > < 2.5855, 2.2632, -1.1093 > Bond_Radius texture { Bond_Texture } } /* Bond between O23 at 3.9172 1.4082 -1.1404 and Nb1 at 4.0527 0.0712 -0.3149 Distance = 1.967 A */ cylinder {< 3.9172, 1.4082, -1.1404 > < 4.0527, 0.0712, -0.3149 > Bond_Radius texture { Bond_Texture } } /* Bond between O42 at 1.1126 -0.6239 -1.3142 and Si17 at 1.1907 -0.0925 -0.0884 Distance = 1.669 A */ cylinder {< 1.1126, -0.6239, -1.3142 > < 1.1907, -0.0925, -0.0884 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb3 at 2.5855 2.2632 -1.1093 and O41 at 1.0217 2.6112 -0.9868 Distance = 2.004 A */ cylinder {< 2.5855, 2.2632, -1.1093 > < 1.0217, 2.6112, -0.9868 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb3 at 2.5855 2.2632 -1.1093 and O34 at 2.1980 0.6998 -0.0115 Distance = 2.431 A */ cylinder {< 2.5855, 2.2632, -1.1093 > < 2.1980, 0.6998, -0.0115 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb3 at 2.5855 2.2632 -1.1093 and O30 at 2.8629 2.7385 0.3745 Distance = 1.974 A */ cylinder {< 2.5855, 2.2632, -1.1093 > < 2.8629, 2.7385, 0.3745 > Bond_Radius texture { Bond_Texture } } /* Bond between O73 at -3.7380 -0.6381 -0.9620 and Nb16 at -4.0136 0.2599 0.3517 Distance = 2.014 A */ cylinder {< -3.7380, -0.6381, -0.9620 > < -4.0136, 0.2599, 0.3517 > Bond_Radius texture { Bond_Texture } } /* Bond between O58 at -1.3183 -0.5677 -1.1345 and Si20 at -1.1814 -0.0380 0.0904 Distance = 1.673 A */ cylinder {< -1.3183, -0.5677, -1.1345 > < -1.1814, -0.0380, 0.0904 > Bond_Radius texture { Bond_Texture } } /* Bond between O55 at -1.0612 2.6509 -0.8382 and Nb13 at -2.6350 2.3797 -0.7239 Distance = 1.997 A */ cylinder {< -1.0612, 2.6509, -0.8382 > < -2.6350, 2.3797, -0.7239 > Bond_Radius texture { Bond_Texture } } /* Bond between O21 at 5.4221 -0.2115 -0.4888 and Nb1 at 4.0527 0.0712 -0.3149 Distance = 1.757 A */ cylinder {< 5.4221, -0.2115, -0.4888 > < 4.0527, 0.0712, -0.3149 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb13 at -2.6350 2.3797 -0.7239 and O75 at -3.9848 1.5541 -0.5350 Distance = 1.987 A */ cylinder {< -2.6350, 2.3797, -0.7239 > < -3.9848, 1.5541, -0.5350 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb13 at -2.6350 2.3797 -0.7239 and O62 at -2.1448 0.7999 0.3282 Distance = 2.445 A */ cylinder {< -2.6350, 2.3797, -0.7239 > < -2.1448, 0.7999, 0.3282 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb13 at -2.6350 2.3797 -0.7239 and O65 at -2.6207 2.8687 0.7756 Distance = 1.967 A */ cylinder {< -2.6350, 2.3797, -0.7239 > < -2.6207, 2.8687, 0.7756 > Bond_Radius texture { Bond_Texture } } /* Bond between O33 at 2.3317 -2.4894 -0.7029 and Nb4 at 2.6664 -2.3771 0.8050 Distance = 1.932 A */ cylinder {< 2.3317, -2.4894, -0.7029 > < 2.6664, -2.3771, 0.8050 > Bond_Radius texture { Bond_Texture } } /* Bond between O75 at -3.9848 1.5541 -0.5350 and Nb16 at -4.0136 0.2599 0.3517 Distance = 1.957 A */ cylinder {< -3.9848, 1.5541, -0.5350 > < -4.0136, 0.2599, 0.3517 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb1 at 4.0527 0.0712 -0.3149 and O34 at 2.1980 0.6998 -0.0115 Distance = 2.472 A */ cylinder {< 4.0527, 0.0712, -0.3149 > < 2.1980, 0.6998, -0.0115 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb1 at 4.0527 0.0712 -0.3149 and O24 at 3.6285 -1.1999 0.5899 Distance = 2.017 A */ cylinder {< 4.0527, 0.0712, -0.3149 > < 3.6285, -1.1999, 0.5899 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb1 at 4.0527 0.0712 -0.3149 and O22 at 4.1071 0.9398 1.0244 Distance = 1.992 A */ cylinder {< 4.0527, 0.0712, -0.3149 > < 4.1071, 0.9398, 1.0244 > Bond_Radius texture { Bond_Texture } } /* Bond between O51 at -0.0875 -2.2977 -0.4666 and Nb8 at 0.0254 -2.3428 1.0414 Distance = 1.887 A */ cylinder {< -0.0875, -2.2977, -0.4666 > < 0.0254, -2.3428, 1.0414 > Bond_Radius texture { Bond_Texture } } /* Bond between O68 at -2.5691 -2.4128 -0.3113 and Nb14 at -2.6307 -2.2680 1.2446 Distance = 1.950 A */ cylinder {< -2.5691, -2.4128, -0.3113 > < -2.6307, -2.2680, 1.2446 > Bond_Radius texture { Bond_Texture } } /* Bond between Si17 at 1.1907 -0.0925 -0.0884 and O34 at 2.1980 0.6998 -0.0115 Distance = 1.601 A */ cylinder {< 1.1907, -0.0925, -0.0884 > < 2.1980, 0.6998, -0.0115 > Bond_Radius texture { Bond_Texture } } /* Bond between Si17 at 1.1907 -0.0925 -0.0884 and O49 at 0.0129 0.5162 0.0965 Distance = 1.670 A */ cylinder {< 1.1907, -0.0925, -0.0884 > < 0.0129, 0.5162, 0.0965 > Bond_Radius texture { Bond_Texture } } /* Bond between Si17 at 1.1907 -0.0925 -0.0884 and O39 at 1.2650 -1.0741 0.8022 Distance = 1.656 A */ cylinder {< 1.1907, -0.0925, -0.0884 > < 1.2650, -1.0741, 0.8022 > Bond_Radius texture { Bond_Texture } } /* Bond between O34 at 2.1980 0.6998 -0.0115 and Nb2 at 2.8020 1.6580 1.5620 Distance = 2.418 A */ cylinder {< 2.1980, 0.6998, -0.0115 > < 2.8020, 1.6580, 1.5620 > Bond_Radius texture { Bond_Texture } } /* Bond between O76 at -5.4099 0.0588 0.5004 and Nb16 at -4.0136 0.2599 0.3517 Distance = 1.769 A */ cylinder {< -5.4099, 0.0588, 0.5004 > < -4.0136, 0.2599, 0.3517 > Bond_Radius texture { Bond_Texture } } /* Bond between Si20 at -1.1814 -0.0380 0.0904 and O49 at 0.0129 0.5162 0.0965 Distance = 1.642 A */ cylinder {< -1.1814, -0.0380, 0.0904 > < 0.0129, 0.5162, 0.0965 > Bond_Radius texture { Bond_Texture } } /* Bond between Si20 at -1.1814 -0.0380 0.0904 and O62 at -2.1448 0.7999 0.3282 Distance = 1.620 A */ cylinder {< -1.1814, -0.0380, 0.0904 > < -2.1448, 0.7999, 0.3282 > Bond_Radius texture { Bond_Texture } } /* Bond between Si20 at -1.1814 -0.0380 0.0904 and O56 at -1.1602 -0.9917 1.0033 Distance = 1.647 A */ cylinder {< -1.1814, -0.0380, 0.0904 > < -1.1602, -0.9917, 1.0033 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb16 at -4.0136 0.2599 0.3517 and O62 at -2.1448 0.7999 0.3282 Distance = 2.426 A */ cylinder {< -4.0136, 0.2599, 0.3517 > < -2.1448, 0.7999, 0.3282 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb16 at -4.0136 0.2599 0.3517 and O70 at -3.5055 -1.0289 1.1833 Distance = 2.015 A */ cylinder {< -4.0136, 0.2599, 0.3517 > < -3.5055, -1.0289, 1.1833 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb16 at -4.0136 0.2599 0.3517 and O72 at -3.7961 1.1379 1.6708 Distance = 1.995 A */ cylinder {< -4.0136, 0.2599, 0.3517 > < -3.7961, 1.1379, 1.6708 > Bond_Radius texture { Bond_Texture } } /* Bond between O30 at 2.8629 2.7385 0.3745 and Nb2 at 2.8020 1.6580 1.5620 Distance = 2.004 A */ cylinder {< 2.8629, 2.7385, 0.3745 > < 2.8020, 1.6580, 1.5620 > Bond_Radius texture { Bond_Texture } } /* Bond between O62 at -2.1448 0.7999 0.3282 and Nb12 at -2.4401 1.8572 1.9628 Distance = 2.456 A */ cylinder {< -2.1448, 0.7999, 0.3282 > < -2.4401, 1.8572, 1.9628 > Bond_Radius texture { Bond_Texture } } /* Bond between O24 at 3.6285 -1.1999 0.5899 and Nb4 at 2.6664 -2.3771 0.8050 Distance = 1.915 A */ cylinder {< 3.6285, -1.1999, 0.5899 > < 2.6664, -2.3771, 0.8050 > Bond_Radius texture { Bond_Texture } } /* Bond between O26 at 3.5456 -3.4922 0.9381 and Nb4 at 2.6664 -2.3771 0.8050 Distance = 1.779 A */ cylinder {< 3.5456, -3.4922, 0.9381 > < 2.6664, -2.3771, 0.8050 > Bond_Radius texture { Bond_Texture } } /* Bond between O65 at -2.6207 2.8687 0.7756 and Nb12 at -2.4401 1.8572 1.9628 Distance = 1.958 A */ cylinder {< -2.6207, 2.8687, 0.7756 > < -2.4401, 1.8572, 1.9628 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb4 at 2.6664 -2.3771 0.8050 and O39 at 1.2650 -1.0741 0.8022 Distance = 2.387 A */ cylinder {< 2.6664, -2.3771, 0.8050 > < 1.2650, -1.0741, 0.8022 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb4 at 2.6664 -2.3771 0.8050 and O40 at 1.2021 -3.2144 1.1314 Distance = 2.143 A */ cylinder {< 2.6664, -2.3771, 0.8050 > < 1.2021, -3.2144, 1.1314 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb4 at 2.6664 -2.3771 0.8050 and O32 at 2.5155 -1.9613 2.3885 Distance = 2.051 A */ cylinder {< 2.6664, -2.3771, 0.8050 > < 2.5155, -1.9613, 2.3885 > Bond_Radius texture { Bond_Texture } } /* Bond between O22 at 4.1071 0.9398 1.0244 and Nb2 at 2.8020 1.6580 1.5620 Distance = 1.975 A */ cylinder {< 4.1071, 0.9398, 1.0244 > < 2.8020, 1.6580, 1.5620 > Bond_Radius texture { Bond_Texture } } /* Bond between O39 at 1.2650 -1.0741 0.8022 and Nb8 at 0.0254 -2.3428 1.0414 Distance = 2.232 A */ cylinder {< 1.2650, -1.0741, 0.8022 > < 0.0254, -2.3428, 1.0414 > Bond_Radius texture { Bond_Texture } } /* Bond between O39 at 1.2650 -1.0741 0.8022 and Nb6 at 1.5559 -0.8109 2.7449 Distance = 2.472 A */ cylinder {< 1.2650, -1.0741, 0.8022 > < 1.5559, -0.8109, 2.7449 > Bond_Radius texture { Bond_Texture } } /* Bond between O40 at 1.2021 -3.2144 1.1314 and Nb8 at 0.0254 -2.3428 1.0414 Distance = 1.830 A */ cylinder {< 1.2021, -3.2144, 1.1314 > < 0.0254, -2.3428, 1.0414 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb8 at 0.0254 -2.3428 1.0414 and O56 at -1.1602 -0.9917 1.0033 Distance = 2.242 A */ cylinder {< 0.0254, -2.3428, 1.0414 > < -1.1602, -0.9917, 1.0033 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb8 at 0.0254 -2.3428 1.0414 and O57 at -1.1698 -3.1434 1.3219 Distance = 1.828 A */ cylinder {< 0.0254, -2.3428, 1.0414 > < -1.1698, -3.1434, 1.3219 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb8 at 0.0254 -2.3428 1.0414 and O47 at 0.1729 -1.7272 2.5515 Distance = 2.042 A */ cylinder {< 0.0254, -2.3428, 1.0414 > < 0.1729, -1.7272, 2.5515 > Bond_Radius texture { Bond_Texture } } /* Bond between O70 at -3.5055 -1.0289 1.1833 and Nb14 at -2.6307 -2.2680 1.2446 Distance = 1.893 A */ cylinder {< -3.5055, -1.0289, 1.1833 > < -2.6307, -2.2680, 1.2446 > Bond_Radius texture { Bond_Texture } } /* Bond between O56 at -1.1602 -0.9917 1.0033 and Nb14 at -2.6307 -2.2680 1.2446 Distance = 2.447 A */ cylinder {< -1.1602, -0.9917, 1.0033 > < -2.6307, -2.2680, 1.2446 > Bond_Radius texture { Bond_Texture } } /* Bond between O56 at -1.1602 -0.9917 1.0033 and Nb10 at -1.1325 -0.7020 2.9397 Distance = 2.442 A */ cylinder {< -1.1602, -0.9917, 1.0033 > < -1.1325, -0.7020, 2.9397 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb14 at -2.6307 -2.2680 1.2446 and O57 at -1.1698 -3.1434 1.3219 Distance = 2.126 A */ cylinder {< -2.6307, -2.2680, 1.2446 > < -1.1698, -3.1434, 1.3219 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb14 at -2.6307 -2.2680 1.2446 and O71 at -3.5246 -3.3187 1.5878 Distance = 1.773 A */ cylinder {< -2.6307, -2.2680, 1.2446 > < -3.5246, -3.3187, 1.5878 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb14 at -2.6307 -2.2680 1.2446 and O63 at -2.1525 -1.8383 2.7442 Distance = 2.035 A */ cylinder {< -2.6307, -2.2680, 1.2446 > < -2.1525, -1.8383, 2.7442 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb2 at 2.8020 1.6580 1.5620 and O38 at 1.2599 2.0109 1.8136 Distance = 1.998 A */ cylinder {< 2.8020, 1.6580, 1.5620 > < 1.2599, 2.0109, 1.8136 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb2 at 2.8020 1.6580 1.5620 and O31 at 2.4773 0.3066 2.3520 Distance = 1.994 A */ cylinder {< 2.8020, 1.6580, 1.5620 > < 2.4773, 0.3066, 2.3520 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb2 at 2.8020 1.6580 1.5620 and O25 at 3.3721 2.3929 2.6470 Distance = 1.783 A */ cylinder {< 2.8020, 1.6580, 1.5620 > < 3.3721, 2.3929, 2.6470 > Bond_Radius texture { Bond_Texture } } /* Bond between O72 at -3.7961 1.1379 1.6708 and Nb12 at -2.4401 1.8572 1.9628 Distance = 1.949 A */ cylinder {< -3.7961, 1.1379, 1.6708 > < -2.4401, 1.8572, 1.9628 > Bond_Radius texture { Bond_Texture } } /* Bond between O38 at 1.2599 2.0109 1.8136 and Si18 at 0.2241 1.6046 2.4968 Distance = 1.628 A */ cylinder {< 1.2599, 2.0109, 1.8136 > < 0.2241, 1.6046, 2.4968 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb12 at -2.4401 1.8572 1.9628 and O53 at -0.8373 2.0853 1.9699 Distance = 2.019 A */ cylinder {< -2.4401, 1.8572, 1.9628 > < -0.8373, 2.0853, 1.9699 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb12 at -2.4401 1.8572 1.9628 and O61 at -2.0289 0.4751 2.7236 Distance = 2.033 A */ cylinder {< -2.4401, 1.8572, 1.9628 > < -2.0289, 0.4751, 2.7236 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb12 at -2.4401 1.8572 1.9628 and O67 at -2.8323 2.6387 3.0663 Distance = 1.756 A */ cylinder {< -2.4401, 1.8572, 1.9628 > < -2.8323, 2.6387, 3.0663 > Bond_Radius texture { Bond_Texture } } /* Bond between O53 at -0.8373 2.0853 1.9699 and Si18 at 0.2241 1.6046 2.4968 Distance = 1.595 A */ cylinder {< -0.8373, 2.0853, 1.9699 > < 0.2241, 1.6046, 2.4968 > Bond_Radius texture { Bond_Texture } } /* Bond between O32 at 2.5155 -1.9613 2.3885 and Nb6 at 1.5559 -0.8109 2.7449 Distance = 1.921 A */ cylinder {< 2.5155, -1.9613, 2.3885 > < 1.5559, -0.8109, 2.7449 > Bond_Radius texture { Bond_Texture } } /* Bond between O31 at 2.4773 0.3066 2.3520 and Nb6 at 1.5559 -0.8109 2.7449 Distance = 1.872 A */ cylinder {< 2.4773, 0.3066, 2.3520 > < 1.5559, -0.8109, 2.7449 > Bond_Radius texture { Bond_Texture } } /* Bond between Si18 at 0.2241 1.6046 2.4968 and O46 at 0.2210 0.2952 2.5589 Distance = 1.635 A */ cylinder {< 0.2241, 1.6046, 2.4968 > < 0.2210, 0.2952, 2.5589 > Bond_Radius texture { Bond_Texture } } /* Bond between Si18 at 0.2241 1.6046 2.4968 and O45 at 0.2697 2.0644 3.7349 Distance = 1.648 A */ cylinder {< 0.2241, 1.6046, 2.4968 > < 0.2697, 2.0644, 3.7349 > Bond_Radius texture { Bond_Texture } } /* Bond between O47 at 0.1729 -1.7272 2.5515 and Nb6 at 1.5559 -0.8109 2.7449 Distance = 2.083 A */ cylinder {< 0.1729, -1.7272, 2.5515 > < 1.5559, -0.8109, 2.7449 > Bond_Radius texture { Bond_Texture } } /* Bond between O47 at 0.1729 -1.7272 2.5515 and Nb10 at -1.1325 -0.7020 2.9397 Distance = 2.126 A */ cylinder {< 0.1729, -1.7272, 2.5515 > < -1.1325, -0.7020, 2.9397 > Bond_Radius texture { Bond_Texture } } /* Bond between O46 at 0.2210 0.2952 2.5589 and Nb6 at 1.5559 -0.8109 2.7449 Distance = 2.175 A */ cylinder {< 0.2210, 0.2952, 2.5589 > < 1.5559, -0.8109, 2.7449 > Bond_Radius texture { Bond_Texture } } /* Bond between O46 at 0.2210 0.2952 2.5589 and Nb10 at -1.1325 -0.7020 2.9397 Distance = 2.150 A */ cylinder {< 0.2210, 0.2952, 2.5589 > < -1.1325, -0.7020, 2.9397 > Bond_Radius texture { Bond_Texture } } /* Bond between O63 at -2.1525 -1.8383 2.7442 and Nb10 at -1.1325 -0.7020 2.9397 Distance = 1.920 A */ cylinder {< -2.1525, -1.8383, 2.7442 > < -1.1325, -0.7020, 2.9397 > Bond_Radius texture { Bond_Texture } } /* Bond between O61 at -2.0289 0.4751 2.7236 and Nb10 at -1.1325 -0.7020 2.9397 Distance = 1.865 A */ cylinder {< -2.0289, 0.4751, 2.7236 > < -1.1325, -0.7020, 2.9397 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb6 at 1.5559 -0.8109 2.7449 and O37 at 1.6781 -0.7559 4.1404 Distance = 1.748 A */ cylinder {< 1.5559, -0.8109, 2.7449 > < 1.6781, -0.7559, 4.1404 > Bond_Radius texture { Bond_Texture } } /* Bond between Nb10 at -1.1325 -0.7020 2.9397 and O54 at -0.9567 -0.6794 4.3473 Distance = 1.770 A */ cylinder {< -1.1325, -0.7020, 2.9397 > < -0.9567, -0.6794, 4.3473 > Bond_Radius texture { Bond_Texture } } /* Bond between O45 at 0.2697 2.0644 3.7349 and H77 at 0.8073 1.8349 4.0347 Distance = 0.819 A */ cylinder {< 0.2697, 2.0644, 3.7349 > < 0.8073, 1.8349, 4.0347 > HBond_Radius texture { HBond_Texture } } rotate < 0.0000, 0.0000, 0.0000 > translate < -0.0154, -0.0665, -0.0131 > }