Feruvite
Gadas P, Novak M, Cempirek J, Filip J, Galiova M V, Groat L A, Vsiansky D
The Canadian Mineralogist 52 (2014) 285-301
Mineral assemblages, compositional variation, and crystal structure of feruvitic
tourmaline from a contaminated anatectic pegmatite at Mirosov near Strazek,
Moldanubian zone, Czech Republic
Note: site occupancies from electron density approximation
Locality: Mirosov, Moldanubian zone, Czech Republic
_database_code_amcsd 0020667
16.0047 16.0047 7.2120 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)
Ca         0       0  .21562 .494  .0147  .0121  .0121  .0201 .00603       0       0
Na         0       0  .21562 .451  .0147  .0121  .0121  .0201 .00603       0       0
FeY  .121449 .060724  .63711 .698 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192
MgY  .121449 .060724  .63711 .141 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192
AlY  .121449 .060724  .63711 .122 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192
TiY  .121449 .060724  .63711 .028 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192
MnY  .121449 .060724  .63711 .010 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192
ZnY  .121449 .060724  .63711 .002 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192
AlZ  .298212  .26149  .61103 .851 .00476 .00461 .00495 .00453 .00224  .00001  .00052
FeZ  .298212  .26149  .61103 .063 .00476 .00461 .00495 .00453 .00224  .00001  .00052
MgZ  .298212  .26149  .61103 .086 .00476 .00461 .00495 .00453 .00224  .00001  .00052
SiT  .191762 .190127       0 .980 .00432 .00415 .00384 .00483 .00189 -.00029 -.00059
AlT  .191762 .190127       0 .020 .00432 .00415 .00384 .00483 .00189 -.00029 -.00059
B     .11020  .22040   .4522       .0060  .0056  .0059  .0067  .0030   .0002   .0005
O1         0       0   .7867 .985  .0186  .0176  .0176  .0205  .0088       0       0
F1         0       0   .7867 .015  .0186  .0176  .0176  .0205  .0088       0       0
O2    .06085  .12169   .4760       .0106  .0113  .0049  .0135 .00243  .00079   .0016
O3    .26752  .13376  .51154 .985 .01124  .0189  .0123  .0046  .0095   .0011  .00055
F3    .26752  .13376  .51154 .015 .01124  .0189  .0123  .0046  .0095   .0011  .00055
O4    .09233  .18466  .07091      .00881  .0066  .0133  .0088  .0066 -.00043  -.0009
O5    .18308  .09154  .09101      .00908  .0141  .0064  .0093  .0070   .0017  .00086
O6    .19644  .18751 -.22206      .00735  .0085  .0083  .0050  .0040  -.0002  -.0011
O7    .28480  .28448  .07979      .00767  .0067  .0057  .0082  .0013  -.0021  -.0013
O8    .20935  .27013  .44104      .00898  .0040  .0089  .0137  .0030   .0010   .0023
H3      .261   .1307    .390 .664   .067
H1         0       0    .898 .664    .34