Oxy-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 Ru-T17-92
Locality: Noisy Brook gneiss, Roxbury, Oxford County, Maine, USA
_database_code_amcsd 0002244
15.935 15.935 7.164 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 .533  .0018  .0018 .0070   .0009       0        0
CaX       0      0   .25 .017  .0018  .0018 .0070   .0009       0        0
KX        0      0   .25 .040  .0018  .0018 .0070   .0009       0        0
AlY  .27150 .54300 .3176 .418 .00080 .00103 .0056 .000515  .00029   .00058
Fe3Y .27150 .54300 .3176 .120 .00080 .00103 .0056 .000515  .00029   .00058
TiY  .27150 .54300 .3176 .028 .00080 .00103 .0056 .000515  .00029   .00058
VY   .27150 .54300 .3176 .005 .00080 .00103 .0056 .000515  .00029   .00058
Fe2Y .27150 .54300 .3176 .228 .00080 .00103 .0056 .000515  .00029   .00058
MgY  .27150 .54300 .3176 .198 .00080 .00103 .0056 .000515  .00029   .00058
AlZ  .29790 .26149 .6301 .892 .00056 .00046 .0020 .000245  -.0001  -.00005
MgZ  .29790 .26149 .6301 .108 .00056 .00046 .0020 .000245  -.0001  -.00005
SiT  .19178 .18978 .0198      .00056 .00054 .0022  .00025 -.00005   -.0001
B     .1103  .2206 .4733       .0011  .0009 .0016  .00045  .00015    .0003
O1        0      0 .7949 .853  .0025  .0025 .0050  .00125       0        0
OH1       0      0 .7949 .041  .0025  .0025 .0050  .00125       0        0
F1        0      0 .7949 .106  .0025  .0025 .0050  .00125       0        0
O2    .0615  .1230 .5078       .0018  .0007 .0044  .00035 -.00005   -.0001
OH3   .2645 .13225 .5281       .0026  .0012 .0034   .0013 -.00015 -.000075
O4    .0931  .1862 .0891       .0009  .0015 .0045  .00075  -.0001   -.0002
O5    .1865 .09325 .1120       .0014  .0007 .0048   .0007   .0003   .00015
O6    .1961  .1857 .7951      .00138 .00150 .0026  .00095 -.00025   -.0005
O7    .2849  .2854 .0978      .00078 .00080 .0040   .0002 -.00025  -.00055
O8    .2097  .2701 .4597      .00075 .00109 .0057  .00055  .00015    .0006