American Mineralogist Crystal Structure Database

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KAlSiO4
 
Dollase W A, Freeborn W P
Download am/vol62/AM62_336.pdf
American Mineralogist 62 (1977) 336-340
The structure of KAlSiO4 with P6_3mc symmetry
Note: natural sample of kalsilite was mixed with powdered KCl and heated,
it tranformed to this phase
Locality: Larvik, Norway
_database_code_amcsd 0000574
5.153 5.153 8.682 90 90 120 P6_3mc
atom      x     y    z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K        0     0   1/4            .0193  .0193  .0045 .00965      0      0
Si     1/3   2/3  .437            .0063  .0063  .0035 .00315      0      0
Al     1/3   2/3  .056            .0110  .0110  .0031  .0055      0      0
O1     1/3  .720  .258 .333  0.9
O2    .614  .019  .993 .333       .0123  .0012  .0117  .0002  .0132  .0109
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