Scapolite
Sokolova E, Hawthorne F C
The Canadian Mineralogist 46 (2008) 1527-1554
The crystal chemistry of the scapolite-group minerals. I. crystal structure and
long-range order
Locality: Pamir, Tajikistan
Note: S3
_database_code_amcsd 0006216
12.0566 12.0566 7.5696 90 90 90 I4/m
atom      x      y      z occ  Uiso
Ca   .37031 .29285      0 .09 .0421
Na   .37031 .29285      0 .86 .0421
K    .37031 .29285      0 .06 .0421
Al2  .16242 .41527 .20671 .41 .0100
Si1  .16173 .08929      0     .0094
Si2  .16242 .41527 .20671 .59 .0100
O1    .0432  .1486      0     .0174
O2    .1940  .3812      0     .0174
O3   .44773 .15033  .2161     .0209
O4   .27075 .37224  .6732     .0200
Cl        0      0     .5 .95 .0513
C         0      0     .5 .03 .0513
O12       0      0     .5 .03 .0513
O13       0      0     .5 .03 .0513
O14       0      0     .5 .03 .0513
S         0      0     .5 .02 .0513
O15       0      0     .5 .02 .0513
O16       0      0     .5 .02 .0513
O17       0      0     .5 .02 .0513
O18       0      0     .5 .02 .0513