American Mineralogist Crystal Structure Database

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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: Tanzania
Note: S7
_database_code_amcsd 0006220
12.0720 12.0720 7.5854 90 90 90 *P4_2/n
.25 .25 .25
atom      x      y      z occ  Uiso
Na   .11562 .03767  .7388 .67 .0329
Ca   .11562 .03767  .7388 .27 .0329
K    .11562 .03767  .7388 .07 .0329
Al1  .91042 .16594 .54770 .80 .0090
Si1  .58886 .65980 .74756     .0081
Si2  .91042 .16594 .54770 .20 .0090
Si3  .66347 .08589 .46056 .86 .0086
Al2  .66347 .08589 .46056 .14 .0086
O1    .7080  .6016  .7521     .0143
O2    .9433  .1286  .7597     .0159
O3    .5999  .1921  .5412     .0184
O4    .7971  .0975  .4681     .0183
O5    .6193  .9794  .9218     .0179
O6    .5215  .6218  .9220     .0167
Cl      .25    .25    .75 .76 .0550
C       .25    .25    .75 .17 .0550
O12     .25    .25    .75 .17 .0550
O13     .25    .25    .75 .17 .0550
O14     .25    .25    .75 .17 .0550
S       .25    .25    .75 .07 .0550
O15     .25    .25    .75 .07 .0550
O16     .25    .25    .75 .07 .0550
O17     .25    .25    .75 .07 .0550
O18     .25    .25    .75 .07 .0550
O7     .356   .265   .742      .036
O10    .358   .272   .805      .000
O11    .355   .267   .669      .008
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