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: Bolton, USA
Note: S14
_database_code_amcsd 0006227
12.1520 12.1520 7.5673 90 90 90 *P4_2/n
.25 .25 .25
atom      x      y      z occ  Uiso
Na   .10784 .03334 .73943 .30 .0246
Ca   .10784 .03334 .73943 .69 .0246
K    .10784 .03334 .73943 .01 .0246
Al1  .58906 .65851 .74758 .22 .0092
Si1  .58906 .65851 .74758 .78 .0092
Si2  .90815 .16476 .54733 .17 .0101
Al2  .90815 .16476 .54733 .83 .0101
Si3  .66203 .08781 .46049 .84 .0096
Al3  .66203 .08781 .46049 .16 .0096
O1   .70846 .59920  .7516     .0170
O2    .9367 .12243  .7594     .0155
O3   .60141 .19377  .5480     .0177
O4   .79521 .09788  .4613     .0168
O5   .61553 .98283  .9234     .0195
O6   .51849 .61811  .9244     .0185
Cl      .25    .25    .75 .13 .0333
C      .258   .258   .750 .87  .073
O12    .258   .258   .750 .87  .073
O13    .258   .258   .750 .87  .073
O14    .258   .258   .750 .87  .073
S       .25    .25    .75 .00 .0333
O15     .25    .25    .75 .00 .0333
O16     .25    .25    .75 .00 .0333
O17     .25    .25    .75 .00 .0333
O18     .25    .25    .75 .00 .0333
O7     .364   .252   .745      .028
O8     .217   .355   .749      .025
O9     .201   .168   .753      .108