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: S4
_database_code_amcsd 0006217
12.0538 12.0538 7.5714 90 90 90 I4/m
atom      x      y      z occ  Uiso
Ca   .36984 .29218      0 .08 .0412
Na   .36984 .29218      0 .86 .0412
K    .36984 .29218      0 .06 .0412
Al2  .16243 .41517 .20670 .40 .0101
Si1  .16166 .08946      0     .0096
Si2  .16243 .41517 .20670 .60 .0101
O1    .0429  .1486      0     .0172
O2    .1941  .3810      0     .0175
O3   .44767 .15050  .2158     .0205
O4   .27080 .37199  .6731     .0198
Cl        0      0     .5 .94 .0507
C         0      0     .5 .05 .0507
O12       0      0     .5 .05 .0507
O13       0      0     .5 .05 .0507
O14       0      0     .5 .05 .0507
S         0      0     .5 .01 .0507
O15       0      0     .5 .01 .0507
O16       0      0     .5 .01 .0507
O17       0      0     .5 .01 .0507
O18       0      0     .5 .01 .0507