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: Madagascar
Note: S8
_database_code_amcsd 0006221
12.0753 12.0753 7.5864 90 90 90 *P4_2/n
.25 .25 .25
atom      x      y      z occ  Uiso
Na   .11510 .03730 .73735 .64 .0311
Ca   .11510 .03730 .73735 .29 .0311
K    .11510 .03730 .73735 .07 .0311
Al1  .58894 .65975 .74730 .01 .0085
Si1  .58894 .65975 .74730 .99 .0085
Si2  .91015 .16606 .54828 .16 .0093
Al2  .91015 .16606 .54828 .84 .0093
Si3  .66330 .08574 .46107 .90 .0091
Al3  .66330 .08574 .46107 .10 .0091
O1    .7080  .6016  .7523     .0147
O2    .9433  .1280  .7610     .0157
O3    .6000  .1915  .5422     .0184
O4    .7963  .0972  .4685     .0184
O5    .6190  .9795  .9218     .0182
O6    .5216  .6218  .9224     .0170
Cl      .25    .25    .75 .73 .0547
C      .283   .265    .75 .18  -.14
O12    .283   .265    .75 .18  -.14
O13    .283   .265    .75 .18  -.14
O14    .283   .265    .75 .18  -.14
S       .25    .25    .75 .09 .0547
O15     .25    .25    .75 .09 .0547
O16     .25    .25    .75 .09 .0547
O17     .25    .25    .75 .09 .0547
O18     .25    .25    .75 .09 .0547
O7     .393   .258    .73        .5
O8     .233   .364    .76      -.02
O9      .22   .172    .75      -.09
O10    .357   .271   .822      .028
O11    .352   .270   .657      .026