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: S1
_database_code_amcsd 0006214
12.0570 12.0570 7.5644 90 90 90 I4/m
atom      x      y      z occ  Uiso
Ca   .37137 .29414      0 .05 .0435
Na   .37137 .29414      0 .88 .0435
K    .37137 .29414      0 .07 .0435
Al2  .16232 .41546 .20677 .39 .0101
Si1  .16184 .08892      0     .0097
Si2  .16232 .41546 .20677 .61 .0101
O1    .0434  .1485      0     .0174
O2    .1938  .3815      0     .0179
O3   .44780 .15019  .2164     .0210
O4   .27067 .37263  .6732     .0202
Cl        0      0     .5 .98 .0522
C         0      0     .5 .01 .0522
O12       0      0     .5 .01 .0522
O13       0      0     .5 .01 .0522
O14       0      0     .5 .01 .0522
S         0      0     .5 .01 .0522
O15       0      0     .5 .01 .0522
O16       0      0     .5 .01 .0522
O17       0      0     .5 .01 .0522
O18       0      0     .5 .01 .0522