Schorl
Fortier S, Donnay G
The Canadian Mineralogist 13 (1975) 173-177
Schorl refinement showing composition dependence of the tourmaline structure
Locality: Andreasberg, Harz, Lower Saxony, Germany
_database_code_amcsd 0005111
15.992 15.992 7.190 90 90 120 R3m
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaX       0      0 .22353 .88  .0226  .0226  .0275  .0113      0      0
CaX       0      0 .22353 .11  .0226  .0226  .0275  .0113      0      0
KX        0      0 .22353 .01  .0226  .0226  .0275  .0113      0      0
FeY  .12566 .06283 .62792 .69  .0046  .0046  .0107  .0011  .0016 -.0016
AlY  .12566 .06283 .62792 .15  .0046  .0046  .0107  .0011  .0016 -.0016
MgY  .12566 .06283 .62792 .04  .0046  .0046  .0107  .0011  .0016 -.0016
CaY  .12566 .06283 .62792 .02  .0046  .0046  .0107  .0011  .0016 -.0016
TiY  .12566 .06283 .62792 .02  .0046  .0046  .0107  .0011  .0016 -.0016
LiY  .12566 .06283 .62792 .02  .0046  .0046  .0107  .0011  .0016 -.0016
MnY  .12566 .06283 .62792 .01  .0046  .0046  .0107  .0011  .0016 -.0016
AlZ  .29883 .26171 .61158 .94  .0034  .0038  .0044  .0016  .0001  .0007
FeZ  .29883 .26171 .61158 .06  .0034  .0038  .0044  .0016  .0001  .0007
SiT  .19177 .18986      0      .0034  .0031  .0052  .0016 -.0002 -.0005
B    .11029 .22058 .45461      .0043  .0043  .0081  .0021  .0007  .0007
OH1       0      0 .78366      .0514  .0514  .0087  .0257      0      0
O2   .06154 .12308 .48301      .0165  .0165  .0128  .0147  .0006 -.0006
OH3  .27060 .13530 .51146      .0104  .0104  .0067  .0019 -.0009  .0009
O4   .09278 .18556 .06907      .0054  .0054  .0086 -.0007 -.0006  .0006
O5   .18566 .09283 .09037      .0058  .0058  .0086 -.0002 -.0005  .0005
O6   .19772 .18787 .77785      .0080  .0083  .0049  .0041  .0002 -.0007
O7   .28462 .28518 .07966      .0054  .0045  .0077  .0010 -.0011 -.0011
O8   .20985 .27048 .44247      .0042  .0094  .0112  .0035  .0012  .0027