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: Pamir, Tajikistan
Note: S9
_database_code_amcsd 0006222
12.0793 12.0793 7.5842 90 90 90 *P4_2/n
.25 .25 .25
atom      x      y      z occ  Uiso
Na   .11425 .03687 .73840 .63 .0299
Ca   .11425 .03687 .73840 .32 .0299
K    .11425 .03687 .73840 .05 .0299
Al1  .58893 .65954 .74760 .01 .0081
Si1  .58893 .65954 .74760 .99 .0081
Si2  .91002 .16575 .54782 .17 .0090
Al2  .91002 .16575 .54782 .83 .0090
Si3  .66315 .08604 .46062 .88 .0088
Al3  .66315 .08604 .46062 .12 .0088
O1    .7083  .6013  .7521     .0141
O2    .9422  .1269  .7602     .0154
O3    .6002  .1921  .5428     .0175
O4    .7963  .0972  .4671     .0173
O5    .6187  .9799  .9213     .0174
O6    .5216  .6216  .9227     .0163
Cl      .25    .25    .75 .63 .0471
C      .267   .252   .744 .26   .31
O12    .267   .252   .744 .26   .31
O13    .267   .252   .744 .26   .31
O14    .267   .252   .744 .26   .31
S       .25    .25    .75 .11 .0471
O15     .25    .25    .75 .11 .0471
O16     .25    .25    .75 .11 .0471
O17     .25    .25    .75 .11 .0471
O18     .25    .25    .75 .11 .0471
O7     .374   .261    .73      .025
O8     .210   .343    .75       .06
O9     .222   .158    .76      .074
O10    .357   .268   .820      .036
O11    .348   .265   .648      .013