Al2O3.pdb 12 KB

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  1. HEADER CSD ENTRY GLOBAL
  2. CRYST1 4.7589 4.7589 12.9912 90.00 90.00 120.00 R-3c
  3. SCALE1 0.210133 0.121320 -0.000000 0.000000
  4. SCALE2 0.000000 0.242640 -0.000000 0.000000
  5. SCALE3 0.000000 0.000000 0.076975 0.000000
  6. HETATM 1 Al UNK 0 1 2.379 4.121 4.573 1.00 0.00
  7. HETATM 2 O UNK 0 1 3.835 4.121 3.248 1.00 0.00
  8. HETATM 3 Al UNK 0 1 2.379 4.121 1.923 1.00 0.00
  9. HETATM 4 O UNK 0 1 1.652 5.382 3.248 1.00 0.00
  10. HETATM 5 O UNK 0 1 1.652 2.861 3.248 1.00 0.00
  11. HETATM 6 Al UNK 0 1 -0.000 2.748 4.088 1.00 0.00
  12. HETATM 7 Al UNK 0 1 4.759 2.748 4.088 1.00 0.00
  13. HETATM 8 O UNK 0 1 3.303 2.748 5.413 1.00 0.00
  14. HETATM 9 Al UNK 0 1 2.379 6.869 4.088 1.00 0.00
  15. HETATM 10 O UNK 0 1 3.107 5.608 5.413 1.00 0.00
  16. HETATM 11 O UNK 0 1 0.728 4.008 5.413 1.00 0.00
  17. HETATM 12 Al UNK 0 1 4.759 5.495 2.408 1.00 0.00
  18. HETATM 13 Al UNK 0 1 2.379 1.374 2.408 1.00 0.00
  19. HETATM 14 Al UNK 0 1 0.000 5.495 2.408 1.00 0.00
  20. HETATM 15 O UNK 0 1 0.728 4.234 1.083 1.00 0.00
  21. HETATM 16 O UNK 0 1 3.303 5.495 1.083 1.00 0.00
  22. HETATM 17 O UNK 0 1 3.107 2.634 1.083 1.00 0.00
  23. HETATM 18 Al UNK 0 1 -2.379 4.121 4.573 1.00 0.00
  24. HETATM 19 O UNK 0 1 -3.107 5.382 3.248 1.00 0.00
  25. HETATM 20 Al UNK 0 1 -2.379 4.121 1.923 1.00 0.00
  26. HETATM 21 O UNK 0 1 -3.107 2.861 3.248 1.00 0.00
  27. HETATM 22 O UNK 0 1 -0.924 4.121 3.248 1.00 0.00
  28. HETATM 23 Al UNK 0 1 -2.379 6.869 4.088 1.00 0.00
  29. HETATM 24 O UNK 0 1 -1.652 5.608 5.413 1.00 0.00
  30. HETATM 25 Al UNK 0 1 -4.759 2.748 4.088 1.00 0.00
  31. HETATM 26 O UNK 0 1 -4.031 4.008 5.413 1.00 0.00
  32. HETATM 27 O UNK 0 1 -1.456 2.748 5.413 1.00 0.00
  33. HETATM 28 Al UNK 0 1 -4.759 5.495 2.408 1.00 0.00
  34. HETATM 29 Al UNK 0 1 -2.379 1.374 2.408 1.00 0.00
  35. HETATM 30 O UNK 0 1 -1.652 2.634 1.083 1.00 0.00
  36. HETATM 31 O UNK 0 1 -4.031 4.234 1.083 1.00 0.00
  37. HETATM 32 O UNK 0 1 -1.456 5.495 1.083 1.00 0.00
  38. HETATM 33 Al UNK 0 1 0.000 0.000 4.573 1.00 0.00
  39. HETATM 34 O UNK 0 1 -0.728 -1.261 3.248 1.00 0.00
  40. HETATM 35 Al UNK 0 1 0.000 0.000 1.923 1.00 0.00
  41. HETATM 36 O UNK 0 1 1.456 0.000 3.248 1.00 0.00
  42. HETATM 37 O UNK 0 1 -0.728 1.261 3.248 1.00 0.00
  43. HETATM 38 Al UNK 0 1 -2.379 -1.374 4.088 1.00 0.00
  44. HETATM 39 O UNK 0 1 -1.652 -0.113 5.413 1.00 0.00
  45. HETATM 40 Al UNK 0 1 2.379 -1.374 4.088 1.00 0.00
  46. HETATM 41 O UNK 0 1 0.924 -1.374 5.413 1.00 0.00
  47. HETATM 42 O UNK 0 1 0.728 1.487 5.413 1.00 0.00
  48. HETATM 43 Al UNK 0 1 -0.000 -2.748 2.408 1.00 0.00
  49. HETATM 44 O UNK 0 1 0.924 1.374 1.083 1.00 0.00
  50. HETATM 45 O UNK 0 1 0.728 -1.487 1.083 1.00 0.00
  51. HETATM 46 O UNK 0 1 -1.652 0.113 1.083 1.00 0.00
  52. HETATM 47 Al UNK 0 1 4.759 0.000 4.573 1.00 0.00
  53. HETATM 48 O UNK 0 1 4.031 -1.261 3.248 1.00 0.00
  54. HETATM 49 Al UNK 0 1 4.759 0.000 1.923 1.00 0.00
  55. HETATM 50 O UNK 0 1 6.215 0.000 3.248 1.00 0.00
  56. HETATM 51 O UNK 0 1 4.031 1.261 3.248 1.00 0.00
  57. HETATM 52 O UNK 0 1 3.107 -0.113 5.413 1.00 0.00
  58. HETATM 53 Al UNK 0 1 7.138 -1.374 4.088 1.00 0.00
  59. HETATM 54 O UNK 0 1 5.683 -1.374 5.413 1.00 0.00
  60. HETATM 55 O UNK 0 1 5.487 1.487 5.413 1.00 0.00
  61. HETATM 56 Al UNK 0 1 4.759 -2.748 2.408 1.00 0.00
  62. HETATM 57 Al UNK 0 1 7.138 1.374 2.408 1.00 0.00
  63. HETATM 58 O UNK 0 1 5.683 1.374 1.083 1.00 0.00
  64. HETATM 59 O UNK 0 1 5.487 -1.487 1.083 1.00 0.00
  65. HETATM 60 O UNK 0 1 3.107 0.113 1.083 1.00 0.00
  66. HETATM 61 Al UNK 0 1 -0.000 2.748 13.234 1.00 0.00
  67. HETATM 62 O UNK 0 1 1.456 2.748 11.909 1.00 0.00
  68. HETATM 63 Al UNK 0 1 -0.000 2.748 10.583 1.00 0.00
  69. HETATM 64 O UNK 0 1 -0.728 4.008 11.909 1.00 0.00
  70. HETATM 65 O UNK 0 1 -0.728 1.487 11.909 1.00 0.00
  71. HETATM 66 Al UNK 0 1 -2.379 1.374 12.749 1.00 0.00
  72. HETATM 67 Al UNK 0 1 2.379 1.374 12.749 1.00 0.00
  73. HETATM 68 O UNK 0 1 0.924 1.374 14.074 1.00 0.00
  74. HETATM 69 Al UNK 0 1 -0.000 5.495 12.749 1.00 0.00
  75. HETATM 70 O UNK 0 1 0.728 4.234 14.074 1.00 0.00
  76. HETATM 71 O UNK 0 1 -1.652 2.634 14.074 1.00 0.00
  77. HETATM 72 Al UNK 0 1 2.379 4.121 11.069 1.00 0.00
  78. HETATM 73 Al UNK 0 1 0.000 0.000 11.069 1.00 0.00
  79. HETATM 74 Al UNK 0 1 -2.379 4.121 11.069 1.00 0.00
  80. HETATM 75 O UNK 0 1 -1.652 2.861 9.743 1.00 0.00
  81. HETATM 76 O UNK 0 1 0.924 4.121 9.743 1.00 0.00
  82. HETATM 77 O UNK 0 1 0.728 1.261 9.743 1.00 0.00
  83. HETATM 78 Al UNK 0 1 2.379 1.374 8.903 1.00 0.00
  84. HETATM 79 O UNK 0 1 3.835 1.374 7.578 1.00 0.00
  85. HETATM 80 Al UNK 0 1 2.379 1.374 6.253 1.00 0.00
  86. HETATM 81 O UNK 0 1 1.652 2.634 7.578 1.00 0.00
  87. HETATM 82 O UNK 0 1 1.652 0.113 7.578 1.00 0.00
  88. HETATM 83 Al UNK 0 1 0.000 0.000 8.418 1.00 0.00
  89. HETATM 84 Al UNK 0 1 4.759 0.000 8.418 1.00 0.00
  90. HETATM 85 O UNK 0 1 3.303 0.000 9.743 1.00 0.00
  91. HETATM 86 Al UNK 0 1 2.379 4.121 8.418 1.00 0.00
  92. HETATM 87 O UNK 0 1 3.107 2.861 9.743 1.00 0.00
  93. HETATM 88 Al UNK 0 1 4.759 2.748 6.738 1.00 0.00
  94. HETATM 89 Al UNK 0 1 2.379 -1.374 6.738 1.00 0.00
  95. HETATM 90 Al UNK 0 1 0.000 2.748 6.738 1.00 0.00
  96. HETATM 91 O UNK 0 1 -1.456 0.000 9.743 1.00 0.00
  97. HETATM 92 O UNK 0 1 0.728 -1.261 9.743 1.00 0.00
  98. HETATM 93 Al UNK 0 1 -2.379 1.374 8.903 1.00 0.00
  99. HETATM 94 O UNK 0 1 -0.924 1.374 7.578 1.00 0.00
  100. HETATM 95 Al UNK 0 1 0.000 -2.748 8.903 1.00 0.00
  101. HETATM 96 O UNK 0 1 -0.728 -1.487 7.578 1.00 0.00
  102. HETATM 97 Al UNK 0 1 -2.379 -1.374 10.583 1.00 0.00
  103. HETATM 98 Al UNK 0 1 2.379 -1.374 10.583 1.00 0.00
  104. HETATM 99 O UNK 0 1 1.652 -0.113 11.909 1.00 0.00
  105. HETATM 100 O UNK 0 1 -0.924 -1.374 11.909 1.00 0.00
  106. HETATM 101 Al UNK 0 1 -2.379 4.121 8.418 1.00 0.00
  107. HETATM 102 O UNK 0 1 -3.835 4.121 9.743 1.00 0.00
  108. HETATM 103 O UNK 0 1 -1.652 5.382 9.743 1.00 0.00
  109. HETATM 104 Al UNK 0 1 0.000 5.495 8.903 1.00 0.00
  110. HETATM 105 Al UNK 0 1 -4.759 5.495 8.903 1.00 0.00
  111. HETATM 106 O UNK 0 1 -3.303 5.495 7.578 1.00 0.00
  112. HETATM 107 O UNK 0 1 -3.107 2.634 7.578 1.00 0.00
  113. HETATM 108 O UNK 0 1 -0.728 4.234 7.578 1.00 0.00
  114. HETATM 109 Al UNK 0 1 -4.759 2.748 10.583 1.00 0.00
  115. HETATM 110 Al UNK 0 1 -2.379 6.869 10.583 1.00 0.00
  116. HETATM 111 O UNK 0 1 -3.303 2.748 11.909 1.00 0.00
  117. HETATM 112 O UNK 0 1 -3.107 5.608 11.909 1.00 0.00
  118. HETATM 113 Al UNK 0 1 4.759 0.000 11.069 1.00 0.00
  119. HETATM 114 O UNK 0 1 5.487 -1.261 9.743 1.00 0.00
  120. HETATM 115 O UNK 0 1 5.487 1.261 9.743 1.00 0.00
  121. HETATM 116 Al UNK 0 1 7.138 1.374 8.903 1.00 0.00
  122. HETATM 117 Al UNK 0 1 4.759 -2.748 8.903 1.00 0.00
  123. HETATM 118 O UNK 0 1 4.031 -1.487 7.578 1.00 0.00
  124. HETATM 119 O UNK 0 1 6.410 0.113 7.578 1.00 0.00
  125. HETATM 120 Al UNK 0 1 4.759 2.748 10.583 1.00 0.00
  126. HETATM 121 Al UNK 0 1 7.138 -1.374 10.583 1.00 0.00
  127. HETATM 122 O UNK 0 1 6.410 -0.113 11.909 1.00 0.00
  128. HETATM 123 O UNK 0 1 3.835 -1.374 11.909 1.00 0.00
  129. HETATM 124 O UNK 0 1 4.031 1.487 11.909 1.00 0.00
  130. HETATM 125 O UNK 0 1 3.107 5.382 9.743 1.00 0.00
  131. HETATM 126 Al UNK 0 1 4.759 5.495 8.903 1.00 0.00
  132. HETATM 127 O UNK 0 1 1.456 5.495 7.578 1.00 0.00
  133. HETATM 128 O UNK 0 1 4.031 4.234 7.578 1.00 0.00
  134. HETATM 129 Al UNK 0 1 2.379 6.869 10.583 1.00 0.00
  135. HETATM 130 O UNK 0 1 4.031 4.008 11.909 1.00 0.00
  136. HETATM 131 O UNK 0 1 1.652 5.608 11.909 1.00 0.00
  137. HETATM 132 Al UNK 0 1 -2.379 1.374 6.253 1.00 0.00
  138. HETATM 133 Al UNK 0 1 -0.000 5.495 6.253 1.00 0.00
  139. HETATM 134 Al UNK 0 1 2.379 1.374 -0.243 1.00 0.00
  140. HETATM 135 Al UNK 0 1 4.759 2.748 0.243 1.00 0.00
  141. HETATM 136 Al UNK 0 1 0.000 2.748 0.243 1.00 0.00
  142. HETATM 137 O UNK 0 1 1.456 2.748 -1.083 1.00 0.00
  143. HETATM 138 Al UNK 0 1 2.379 -1.374 0.243 1.00 0.00
  144. HETATM 139 O UNK 0 1 1.652 -0.113 -1.083 1.00 0.00
  145. HETATM 140 O UNK 0 1 4.031 1.487 -1.083 1.00 0.00
  146. CONECT 1 2 3 4
  147. CONECT 2 3 7 12
  148. CONECT 3 4 5 12
  149. CONECT 4 9 14
  150. CONECT 5 1 6 13
  151. CONECT 6 1 11 18
  152. CONECT 7 1 47 51
  153. CONECT 8 1 80
  154. CONECT 9 1
  155. CONECT 10 1
  156. CONECT 11 1 90 133
  157. CONECT 12
  158. CONECT 13 3 17 35
  159. CONECT 14 3 20 22
  160. CONECT 15 3
  161. CONECT 16 3
  162. CONECT 17 3 134 135
  163. CONECT 18 19 20 21
  164. CONECT 19 20 23 28
  165. CONECT 20 21 22 28
  166. CONECT 21 25 29
  167. CONECT 22 6 18
  168. CONECT 23 18
  169. CONECT 24 18
  170. CONECT 25 18
  171. CONECT 26 18
  172. CONECT 27 6 18 90
  173. CONECT 28
  174. CONECT 29 20 35 37
  175. CONECT 30 20
  176. CONECT 31 20
  177. CONECT 32 20
  178. CONECT 33 6 34 35
  179. CONECT 34 35 38 43
  180. CONECT 35 36 37 43
  181. CONECT 36 13 33 40
  182. CONECT 37 6 33
  183. CONECT 38 33
  184. CONECT 39 33
  185. CONECT 40 33 47 48
  186. CONECT 41 33
  187. CONECT 42 6 33 80
  188. CONECT 43
  189. CONECT 44 13 35 134
  190. CONECT 45 35
  191. CONECT 46 35
  192. CONECT 47 48 49 50
  193. CONECT 48 49 56
  194. CONECT 49 13 50 51
  195. CONECT 50 53 57
  196. CONECT 51 13 47
  197. CONECT 52 47 80
  198. CONECT 53 47
  199. CONECT 54 47
  200. CONECT 55 47
  201. CONECT 56 49
  202. CONECT 57 49
  203. CONECT 58 49
  204. CONECT 59 49
  205. CONECT 60 13 49 134
  206. CONECT 61 62 63 64
  207. CONECT 62 63 67 72
  208. CONECT 63 64 65 72
  209. CONECT 64 69 74
  210. CONECT 65 61 66 73
  211. CONECT 66 61
  212. CONECT 67 61
  213. CONECT 68 61
  214. CONECT 69 61
  215. CONECT 70 61
  216. CONECT 71 61
  217. CONECT 72 76 86 87
  218. CONECT 73 63 77 83
  219. CONECT 74 63 75 101
  220. CONECT 75 63 93 101
  221. CONECT 76 63 86 104
  222. CONECT 77 63 78 83
  223. CONECT 78 79 80 81
  224. CONECT 79 80 84 88
  225. CONECT 80 81 82 88
  226. CONECT 81 86 90
  227. CONECT 82 78 83 89
  228. CONECT 83 78 91 92
  229. CONECT 84 78 85 113
  230. CONECT 85 78 98 113
  231. CONECT 86 78 87 104
  232. CONECT 87 78 120
  233. CONECT 88
  234. CONECT 89 80
  235. CONECT 90 6 42 80
  236. CONECT 91 73 93 97
  237. CONECT 92 73 95 98
  238. CONECT 93 83 101
  239. CONECT 94 83 90
  240. CONECT 95 83
  241. CONECT 96 83
  242. CONECT 97 73
  243. CONECT 98 73 113
  244. CONECT 99 73
  245. CONECT 100 73
  246. CONECT 101 102 103 104
  247. CONECT 102 74 105 109
  248. CONECT 103 74 104 110
  249. CONECT 104
  250. CONECT 105 101
  251. CONECT 106 101
  252. CONECT 107 101
  253. CONECT 108 90 101
  254. CONECT 109 74
  255. CONECT 110 74
  256. CONECT 111 74
  257. CONECT 112 74
  258. CONECT 113 114 115 120
  259. CONECT 114 84 117 121
  260. CONECT 115 84 116 120
  261. CONECT 116 84
  262. CONECT 117 84
  263. CONECT 118 84
  264. CONECT 119 84
  265. CONECT 120 72
  266. CONECT 121 113
  267. CONECT 122 113
  268. CONECT 123 113
  269. CONECT 124 113
  270. CONECT 125 72 86 126
  271. CONECT 126 86
  272. CONECT 127 86
  273. CONECT 128 86
  274. CONECT 129 72 125
  275. CONECT 130 72
  276. CONECT 131 72
  277. CONECT 132 27 90
  278. CONECT 133 90
  279. CONECT 134 13 135 136
  280. CONECT 135
  281. CONECT 136 44
  282. CONECT 137 134
  283. CONECT 138 60 134
  284. CONECT 139 134
  285. CONECT 140 134
  286. MASTER 0 0 0 0 0 0 0 0 3 140 0 140 0
  287. END