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