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: Minden, Canada
Note: S12
_database_code_amcsd 0006225
12.1338 12.1338 7.5755 90 90 90 *P4_2/n
.25 .25 .25
atom      x      y      z occ  Uiso
Na   .10963 .03431 .73831 .39 .0261
Ca   .10963 .03431 .73831 .58 .0261
K    .10963 .03431 .73831 .03 .0261
Al1  .58909 .65902 .74783 .15 .0085
Si1  .58909 .65902 .74783 .85 .0085
Si2  .90845 .16537 .54745 .12 .0101
Al2  .90845 .16537 .54745 .88 .0101
Si3  .66233 .08700 .46064 .89 .0089
Al3  .66233 .08700 .46064 .11 .0089
O1    .7084  .6000  .7517     .0156
O2    .9383  .1238  .7604     .0154
O3    .6011  .1924  .5466     .0172
O4   .79478  .0975  .4635     .0166
O5    .6165  .9824  .9212     .0191
O6    .5198  .6197  .9249     .0179
Cl      .25    .25    .75 .28 .0307
C      .266   .248   .726 .58   .14
O12    .266   .248   .726 .58   .14
O13    .266   .248   .726 .58   .14
O14    .266   .248   .726 .58   .14
S       .25    .25    .75 .14 .0307
O15     .25    .25    .75 .14 .0307
O16     .25    .25    .75 .14 .0307
O17     .25    .25    .75 .14 .0307
O18     .25    .25    .75 .14 .0307
O7     .370   .273   .738      .011
O8     .194   .325   .735      .129
O9     .239   .147   .744      .038
O11    .351   .267   .658      .045