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: Monte Somma, Italy
Note: S10
_database_code_amcsd 0006223
12.0915 12.0915 7.5841 90 90 90 *P4_2/n
.25 .25 .25
atom      x      y      z occ  Uiso
Na   .11230 .03559 .73645 .54 .0271
Ca   .11230 .03559 .73645 .42 .0271
K    .11230 .03559 .73645 .04 .0271
Al1  .58912 .65920 .74736 .05 .0082
Si1  .58912 .65920 .74736 .95 .0082
Si2  .90915 .16586 .54861 .07 .0095
Al2  .90915 .16586 .54861 .93 .0095
Si3  .66245 .08586 .46135 .94 .0085
Al3  .66245 .08586 .46135 .06 .0085
O1    .7084  .6012  .7522     .0144
O2    .9412  .1255  .7622     .0147
O3    .6004  .1910  .5454     .0166
O4    .7947  .0968  .4666     .0166
O5    .6177  .9806  .9207     .0180
O6    .5216  .6213  .9238     .0163
Cl      .25    .25    .75 .48 .0392
C      .261   .250    .71 .38   .12
O12    .261   .250    .71 .38   .12
O13    .261   .250    .71 .38   .12
O14    .261   .250    .71 .38   .12
S       .25    .25    .75 .14 .0392
O15     .25    .25    .75 .14 .0392
O16     .25    .25    .75 .14 .0392
O17     .25    .25    .75 .14 .0392
O18     .25    .25    .75 .14 .0392
O7     .366   .262   .749      .018
O8     .214   .347   .715      .073
O9     .212   .162   .750       .10
O11    .353   .266   .665      .043