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: S6
_database_code_amcsd 0006219
12.0450 12.0450 7.5826 90 90 90 I4/m
atom      x      y     z occ  Uiso
Ca   .36609 .28795     0 .21 .0345
Na   .36609 .28795     0 .78 .0345
K    .36609 .28795     0 .01 .0345
Al2  .16255 .41434 .2066 .46 .0100
Si1  .16118 .09067     0     .0091
Si2  .16255 .41434 .2066 .55 .0100
O1    .0419  .1488     0     .0163
O2    .1942  .3788     0     .0178
O3    .4478  .1514 .2143     .0201
O4    .2712  .3702 .6729     .0188
O7     .107   .023    .5      .018
O8     .019   .093    .5       .03
O10    .015  -.102   .59      .009
Cl        0      0    .5 .85 .0502
C         0      0    .5 .13 .0502
O12       0      0    .5 .13 .0502
O13       0      0    .5 .13 .0502
O14       0      0    .5 .13 .0502
S         0      0    .5 .03 .0502
O15       0      0    .5 .03 .0502
O16       0      0    .5 .03 .0502
O17       0      0    .5 .03 .0502
O18       0      0    .5 .03 .0502