American Mineralogist Crystal Structure Database

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Bakerite
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Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R
American Mineralogist 89 (2004) 767-776
The atomic structure of bakerite and its relationship to datolite
Sample: Refinement of the neutron data (LT) for sample #92735
_database_code_amcsd 0003544
4.7892 7.5644 9.5362 90 90.476 90 P2_1/c
atom     x     y     z occ Uiso
Ca   .9958 .1103 .3326     .012
SiT1 .4768 .2534 .0857 .75 .008
BT1  .4768 .2534 .0857 .25 .008
BT2  .5691 .4074 .3426     .010
O1   .2614 .4036 .0412     .014
O2   .6759 .3032 .4632     .014
O3   .6762 .3259 .2126     .015
O4   .3146 .0872 .1439     .009
O5   .2581 .4081 .3397     .008
H1   .1943 .4595 .4301     .026
H2   .4142 .4826 .0047 .25 .026
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