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: S2
_database_code_amcsd 0006215
12.0541 12.0541 7.5682 90 90 90 I4/m
atom      x      y      z occ  Uiso
Ca   .37024 .29295      0 .07 .0425
Na   .37024 .29295      0 .87 .0425
K    .37024 .29295      0 .06 .0425
Al2  .16238 .41521 .20670 .40 .0099
Si1  .16174 .08930      0     .0094
Si2  .16238 .41521 .20670 .60 .0099
O1    .0431  .1487      0     .0173
O2    .1938  .3810      0     .0177
O3   .44778 .15030  .2160     .0209
O4   .27067 .37220  .6732     .0202
Cl        0      0     .5 .96 .0510
C         0      0     .5 .03 .0510
O12       0      0     .5 .03 .0510
O13       0      0     .5 .03 .0510
O14       0      0     .5 .03 .0510
S         0      0     .5 .01 .0510
O15       0      0     .5 .01 .0510
O16       0      0     .5 .01 .0510
O17       0      0     .5 .01 .0510
O18       0      0     .5 .01 .0510