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 HP2-1
Locality: Harney Peak Granite, Custer County, South Dakota, USA
_database_code_amcsd 0002241
15.946 15.946 7.157 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 .540  .0017  .0017  .0079  .00085       0       0
CaX       0      0   .25 .027  .0017  .0017  .0079  .00085       0       0
KX        0      0   .25 .025  .0017  .0017  .0079  .00085       0       0
FeY  .27130 .54260 .3159 .557 .00075 .00110 .00579  .00055  .00026  .00052
MgY  .27130 .54260 .3159 .026 .00075 .00110 .00579  .00055  .00026  .00052
MnY  .27130 .54260 .3159 .004 .00075 .00110 .00579  .00055  .00026  .00052
ZnY  .27130 .54260 .3159 .002 .00075 .00110 .00579  .00055  .00026  .00052
AlY  .27130 .54260 .3159 .399 .00075 .00110 .00579  .00055  .00026  .00052
TiY  .27130 .54260 .3159 .003 .00075 .00110 .00579  .00055  .00026  .00052
VY   .27130 .54260 .3159 .002 .00075 .00110 .00579  .00055  .00026  .00052
AlZ  .29822 .26160 .6299 .907 .00041 .00045 .00142 .000195 .000005  .00009
MgZ  .29822 .26160 .6299 .093 .00041 .00045 .00142 .000195 .000005  .00009
SiT  .19184 .18982 .0193      .00055 .00047 .00235 .000255 -.00008 -.00013
B     .1104  .2208 .4741       .0007  .0011  .0027  .00055   .0001   .0002
O1        0      0 .7957 .400  .0033  .0033  .0035  .00165       0       0
OH1       0      0 .7957 .396  .0033  .0033  .0035  .00165       0       0
F1        0      0 .7957 .204  .0033  .0033  .0035  .00165       0       0
O2   .06144 .12288 .5064       .0022  .0009  .0044  .00045   .0001   .0002
OH3   .2665 .13325 .5288       .0027 .00130  .0023  .00135   .0001  .00005
O4   .09323 .18646 .0880      .00082  .0015  .0041  .00075 -.00015  -.0003
O5    .1868  .0934 .1109       .0016 .00084  .0041   .0008  .00025 .000125
O6    .1968  .1864 .7949      .00120 .00122  .0023 .000635 -.00025  -.0002
O7    .2853  .2856 .0981      .00072 .00065  .0037  .00020 -.00015 -.00025
O8    .2099  .2703 .4597      .00084 .00121  .0049  .00065   .0001  .00035