American Mineralogist Crystal Structure Database

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Meniaylovite
 
Mathew M, Takagi S, Waerstad K R, Frazier A W
Download am/vol66/AM66_392.pdf
American Mineralogist 66 (1981) 392-397
The crystal structure of synthetic chukhrovite, Ca4AlSi(SO4)F13*12H2O
_database_code_amcsd 0000826
16.710 16.710 16.710 90 90 90 *Fd3
.125 .125 .125
atom      x      y      z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .29171 .29171 .29171          0.0217 0.0217 0.0217 -.0027 -.0027 -.0027
Si       .5     .5     .5  .5      0.0139 0.0139 0.0139 -.0017 -.0017 -.0017
Al       .5     .5     .5  .5      0.0139 0.0139 0.0139 -.0017 -.0017 -.0017
S      .125   .125   .125          0.0172 0.0172 0.0172      0      0      0
O    .07396 .07396 .07396          0.0233 0.0233 0.0233 -.0029 -.0029 -.0029
F1     .375   .375   .375          0.0168 0.0168 0.0168      0      0      0
F2   .22049 .33649 .45070          0.0252 0.0181 0.0361 -.0005 0.0011 0.0072
OW   .15481 .24744 .30479          0.0286 0.0530 0.0237 -.0141 0.0012 -.0039
H1     .126   .222   .271      3.5
H2     .135   .231   .345      5.5
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