American Mineralogist Crystal Structure Database

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Asbecasite
Download hom/asbecasite.pdf
Sacerdoti M, Parodi G C, Mottana A,  Maras A, Ventura G D
Download mm/vol57/MM57_315.pdf
Mineralogical Magazine 57 (1993) 315-322
Asbecasite: crystal structure refinement and crystal chemistry
_database_code_amcsd 0014499
8.318 8.318 15.264 90 90 120 P-3c1
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .5921 .5921   .75 .0083  .0076  .0076  .0095  .0036 -.0005  .0005
As   .0187 .2950 .1027 .0089  .0078  .0073  .0100  .0026 -.0006  .0001
Ti       0     0   .25 .0072  .0061  .0061  .0094  .0031      0      0
Si     2/3   1/3 .0729 .0085  .0079  .0079  .0096  .0039      0      0
Be     1/3   2/3 .1309 .0091  .0069  .0069  .0135  .0034      0      0
O1   .8933 .7785 .1754 .0117  .0107  .0103  .0149  .0058 -.0026 -.0024
O2   .5362 .7217 .1743 .0099  .0089  .0110  .0114  .0061 -.0019 -.0029
O3   .5980 .4693 .1161 .0126  .0117  .0074  .0183  .0044  .0019 -.0012
O4     1/3   2/3 .0297 .0174  .0210  .0210  .0102  .0105      0      0
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