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Aluminite |
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Sabelli C, Ferroni R T |
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Acta Crystallographica B34 (1978) 2407-2412 |
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The crystal structure of aluminite |
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Note: anisotropic displacement factors from ICSD |
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_database_code_amcsd 0009644 |
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7.440 15.583 11.700 90 110.18 90 P2_1/c |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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S .70076 .37376 .93018 1.28 .00784 .00127 .00209 -.00045 -.00007 .00110 |
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Al1 .65581 .45332 .47633 .97 .00452 .00095 .00212 .00001 -.00003 .00091 |
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Al2 .07306 .46600 .62873 .96 .00529 .00093 .00172 -.00004 -.00004 .00048 |
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O1 .7166 .2878 .8897 2.73 .02395 .00149 .00591 -.00166 -.00114 .00744 |
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O2 .5012 .3905 .9217 2.48 .00687 .00418 .00403 -.00014 -.00028 .00143 |
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O3 .7539 .4342 .8525 2.13 .01272 .00198 .00453 -.00062 .00097 .00352 |
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O4 .8284 .3836 .0584 2.11 .01114 .00218 .00267 -.00008 -.00024 -.00116 |
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Oh5 .8713 .5403 .5230 .98 .00562 .00080 .00231 .00057 -.00002 .00145 |
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Oh6 .7393 .4539 .3423 1.21 .00628 .00123 .00239 -.00071 -.00048 .00112 |
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Oh7 .8684 .3947 .5778 1.19 .00651 .00077 .00296 -.00009 .00000 .00103 |
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Oh8 .4451 .5226 .4023 1.22 .00673 .00143 .00207 .00098 .00043 .00152 |
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Ow9 .5257 .3487 .4235 1.87 .00923 .00125 .00542 -.00064 -.00070 .00261 |
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Ow10 .2421 .3758 .7019 1.78 .00937 .00135 .00338 .00028 .00028 -.00036 |
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Ow11 .0346 .4930 .7774 1.86 .01199 .00219 .00303 -.00190 -.00082 .00353 |
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O12 .8517 .2530 .7101 2.48 .01887 .00187 .00463 .00027 .00003 .00460 |
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O13 .1782 .2181 .6079 2.73 .01241 .00196 .00763 .00043 -.00046 .00266 |
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O14 .1737 .3019 .4012 2.31 .01266 .00185 .00586 -.00123 -.00077 .00359 |
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O15 .4317 .4095 .1035 2.19 .01450 .00223 .00321 -.00034 -.00049 .00242 |
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H1 .852 .588 .554 5.0 |
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H2 .658 .440 .283 5.0 |
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H3 .857 .350 .608 5.0 |
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H4 .408 .541 .342 5.0 |
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H5 .400 .334 .410 5.0 |
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H6 .581 .298 .409 5.0 |
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H7 .197 .319 .680 5.0 |
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H8 .327 .378 .780 5.0 |
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H9 .936 .472 .802 5.0 |
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H10 .100 .533 .831 5.0 |
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H11 .794 .263 .775 5.0 |
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H12 .780 .218 .661 5.0 |
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H13 .506 .185 .594 5.0 |
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H14 .268 .181 .621 5.0 |
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H15 .071 .279 .331 5.0 |
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H16 .156 .275 .467 5.0 |
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H17 .458 .405 .061 5.0 |
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H18 .370 .466 .130 5.0 |
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