Schorl
Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V
American Mineralogist 84 (1999) 922-928
Linking structure and chemistry in the schorl-dravite series
Sample 108749
Locality: Madagascar
_database_code_amcsd 0002238
15.939 15.939 7.146 90 90 120 R3m
atom      x      y      z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)   B(2,3)
NaX       0      0    .25 .711 .00202 .00202  .0091  .00101       0        0
CaX       0      0    .25 .100 .00202 .00202  .0091  .00101       0        0
KX        0      0    .25 .043 .00202 .00202  .0091  .00101       0        0
FeY  .27140 .54280 .32225 .411 .00082 .00110 .00571  .00055 .000385   .00077
MgY  .27140 .54280 .32225 .136 .00082 .00110 .00571  .00055 .000385   .00077
AlY  .27140 .54280 .32225 .428 .00082 .00110 .00571  .00055 .000385   .00077
TiY  .27140 .54280 .32225 .016 .00082 .00110 .00571  .00055 .000385   .00077
VY   .27140 .54280 .32225 .002 .00082 .00110 .00571  .00055 .000385   .00077
LiY  .27140 .54280 .32225 .002 .00082 .00110 .00571  .00055 .000385   .00077
ZnY  .27140 .54280 .32225 .002 .00082 .00110 .00571  .00055 .000385   .00077
AlZ  .29802 .26158 .63386 .927 .00050 .00049 .00161 .000245 -.00007   .00004
MgZ  .29802 .26158 .63386 .073 .00050 .00049 .00161 .000245 -.00007   .00004
SiT  .19205 .19007 .02373 .972 .00055 .00052 .00218  .00027 -.00002 -.000115
AlT  .19205 .19007 .02373 .028 .00055 .00052 .00218  .00027 -.00002 -.000115
B    .10995 .21990  .4766      .00090  .0007  .0022  .00035  .00005    .0001
O1        0      0  .7984 .233  .0028  .0028  .0038   .0014       0        0
OH1       0      0  .7984 .465  .0028  .0028  .0038   .0014       0        0
F1        0      0  .7984 .302  .0028  .0028  .0038   .0014       0        0
O2   .06111 .12222  .5082      .00193 .00079  .0040 .000395  .00000   .00000
OH3   .2660  .1330  .5326      .00242 .00125  .0025  .00121  .00000   .00000
O4   .09313 .18626  .0940      .00095 .00175  .0039 .000885 -.00015   -.0003
O5    .1858  .0929  .1168      .00180 .00086  .0041  .00090  .00015    .0003
O6   .19696 .18640  .7984      .00099 .00119  .0025 .000545  -.0001   -.0002
O7   .28589 .28604  .1022      .00083 .00076  .0031 .000205  -.0001  -.00025
O8   .20956 .27008  .4632      .00074 .00105  .0040  .00049  .00005   .00045