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: S11
_database_code_amcsd 0006224
12.0972 12.0972 7.5814 90 90 90 *P4_2/n
.25 .25 .25
atom      x      y      z occ  Uiso
Na   .11124 .03497 .73659 .52 .0261
Ca   .11124 .03497 .73659 .46 .0261
K    .11124 .03497 .73659 .02 .0261
Al1  .58913 .65902 .74730 .07 .0087
Si1  .58913 .65902 .74730 .93 .0087
Si2  .90902 .16563 .54852 .08 .0100
Al2  .90902 .16563 .54852 .92 .0100
Si3  .66236 .08608 .46128 .93 .0090
Al3  .66236 .08608 .46128 .07 .0090
O1    .7086  .6008  .7523     .0154
O2    .9407  .1249  .7619     .0158
O3    .6006  .1913  .5460     .0171
O4    .7948  .0969  .4658     .0163
O5    .6174  .9807  .9213     .0184
O6    .5211  .6207  .9237     .0170
Cl      .25    .25    .75 .46 .0417
C      .258   .252   .742 .45   .16
O12    .258   .252   .742 .45   .16
O13    .258   .252   .742 .45   .16
O14    .258   .252   .742 .45   .16
S       .25    .25    .75 .09 .0417
O15     .25    .25    .75 .09 .0417
O16     .25    .25    .75 .09 .0417
O17     .25    .25    .75 .09 .0417
O18     .25    .25    .75 .09 .0417
O7     .368   .262   .748      .018
O8     .209   .350   .730      .054
O9     .208   .158   .760       .15
O11    .353   .265   .662      .033