American Mineralogist Crystal Structure Database

1 matching records for this search.

Aluminite
Download hom/aluminite.pdf
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
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