Schorl
Foit F F
American Mineralogist 74 (1989) 422-431
Crystal chemistry of alkali-deficient schorl and tourmaline structural
relationships
Locality: Jack Creek deposit, near Basin, Montana, USA
_database_code_amcsd 0001229
15.963 15.963 7.148 90 90 120 R3m
atom      x      y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
NaX       0      0 .2215  .55      0.0268 0.0268 0.0207 0.0134      0       0
FeY  .12292 .06146 .6297 .587      0.0073 0.0044 0.0125 .00365 -.0039 -.00195
AlY  .12292 .06146 .6297 .297      0.0240 0.0237 0.0083 0.0120 0.0036   .0018
MgY  .12292 .06146 .6297 .110      0.0240 0.0237 0.0083 0.0120 0.0036   .0018
TiY  .12292 .06146 .6297 .006      0.0240 0.0237 0.0083 0.0120 0.0036   .0018
AlZ  .29800 .26134 .6094           0.0049 0.0056 0.0047 0.0026 -.0002   .0007
SiT  .19180 .18981     0 .977      0.0055 0.0056 0.0060 0.0026 -.0002  -.0006
AlT  .19180 .18981     0 .023      0.0055 0.0056 0.0060 0.0026 -.0002  -.0006
B     .1101  .2202 .4535           0.0072 0.0093 0.0085 .00465  .0000   .0000
O1        0      0 .7771  .48      0.0339 0.0339 0.0107 .01695      0       0
OH1       0      0 .7771  .38      0.0339 0.0339 0.0107 .01695      0       0
F1        0      0 .7771  .14      0.0339 0.0339 0.0107 .01695      0       0
O2   .06166 .12332 .4871           0.0217 0.0086 0.0101 0.0043 .00035   .0007
O3    .2666  .1333 .5083           0.0222 0.1199 0.0074 0.0111  .0007  .00035
O4   .09380 .18760 .0694           0.0081 0.0159 0.0104 .00795 -.0003  -.0006
O5    .1877 .09385 .0922           0.0153 0.0087 0.0105 .00765  .0010   .0005
O6    .1971  .1867 .7754           0.0106 0.0105 0.0053 0.0049 -.0002  -.0006
O7    .2854 .28601 .0783           0.0079 0.0072 0.0081 0.0022  .0003  -.0011
O8    .2099  .2706 .4397           0.0068 0.0116 0.0107 0.0048  .0008   .0020
H3     .268   .134  .398      .047