American Mineralogist Crystal Structure Database

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Vauxite
Download hom/vauxite.pdf
Baur W H, Rama Rao B
Download am/vol53/AM53_1025.pdf
American Mineralogist 53 (1968) 1025-1033
The crystal structure and the chemical composition of vauxite
_database_code_amcsd 0000176
9.13 11.59 6.14 98.3 92.0 108.4 P-1
atom     x    y    z Biso
Fe1      0    0    0  1.1
Fe2      0   .5    0   .6
Al1   .667 .291 .187   .6
Al2      0   .5   .5   .5
Al3     .5   .5    0   .5
P1    .990 .264 .215   .7
P2    .310 .639 .291   .5
Op1   .812 .208 .202   .8
Op2   .035 .329 .015   .9
Op3   .046 .353 .429   .8
Op4   .063 .160 .211  1.2
Op5   .137 .571 .296   .6
Op6   .625 .285 .483   .7
Op7   .329 .725 .121   .8
Op8   .396 .546 .228   .8
OH9   .532 .384 .165   .9
OH10  .838 .448 .258   .7
Wat11 .768 .961 .142  1.5
Wat12 .058 .907 .276  2.7
Wat13 .502 .136 .120  1.0
Wat14 .694 .620 .143  1.1
Wat15 .380 .958 .341  1.9
Wat16 .706 .808 .468  1.5
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