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: Royal Ontario Museum
Note: S18
_database_code_amcsd 0006231
12.2077 12.2077 7.5832 90 90 90 I4/m
atom      x      y      z occ  Uiso
Ca   .35652 .28101      0 .93 .0256
Na   .35652 .28101      0 .05 .0256
K    .35652 .28101      0 .03 .0256
Si1  .16045 .09249      0 .64 .0101
Al2  .16045 .09249      0 .37 .0101
Si2  .15994 .41307 .20705 .48 .0109
Al2  .15994 .41307 .20705 .52 .0109
O1    .0413  .1526      0     .0197
O2    .1868  .3728      0     .0172
O3   .44950 .15068  .2058     .0192
O4   .26621 .36400  .6741     .0224
O7     .117   .018     .5      .020
O8    -.047   .086     .5      .054
O9    -.021  -.098     .5      .047
Cl        0      0     .5 .03   .10
C      .010   .000     .5 .94  .032
O12    .010   .000     .5 .94  .032
O13    .010   .000     .5 .94  .032
O14    .010   .000     .5 .94  .032
S         0      0     .5 .03   .10
O15       0      0     .5 .03   .10
O16       0      0     .5 .03   .10
O17       0      0     .5 .03   .10
O18       0      0     .5 .03   .10