American Mineralogist Crystal Structure Database

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Amstallite
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Quint R
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 253-262
Description and crystal structure of amstallite, CaAl(OH)2[Al0.8Si3.2O8(OH)2]*[(H2O)0.8Cl0.2],
a new mineral from Amstall, Austria
Locality: Amstall, Austria
_database_code_amcsd 0014815
18.830 11.517 5.190 90 100.86 90 C2/c
atom      x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       .5 .2586   .25            .0225  .0144  .0113      0  .0051      0
Al       .5 .4352   .75            .0100  .0111  .0079      0  .0014      0
Si1   .2292 .4246 .6655 .60        .0107  .0126  .0115 -.0008  .0022 -.0016
Al1   .2292 .4246 .6655 .40        .0107  .0126  .0115 -.0008  .0022 -.0016
Si2  .36646 .2728 .6489            .0105  .0135  .0147 -.0028  .0031 -.0022
O1    .2129 .5348 .4563            .0279  .0257  .0167  .0018  .0047 -.0019
O2    .3270 .1839 .4303            .0225  .0227  .0224 -.0098  .0031 -.0071
O3    .3141 .3795 .6903            .0161  .0243  .0427  .0013  .0068 -.0109
O4    .4388 .3225 .5721            .0126  .0175  .0122 -.0054  .0031 -.0030
O5    .3915 .2046 .9308            .0293  .0332  .0176 -.0136  .0037  .0067
O6    .5508 .4429 .4614            .0085  .0152  .0105  .0014  .0013  .0004
Cl    .4888 .0389 .2943 .10        .1065  .0477  .0594 -.0408  .0162 -.0089
Wat7  .4888 .0389 .2943 .40        .1065  .0477  .0594 -.0408  .0162 -.0089
H1     .365  .164  .964     .0044
H2     .584  .446  .490     .0044
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