Feruvite
Grice J D, Robinson G W
The Canadian Mineralogist 27 (1989) 199-203
Feruvite, a new member of the tourmaline group, and its crystal structure
Locality: Cuvier Island, New Zealand
_database_code_amcsd 0005228
16.012 16.012 7.245 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)
CaX       0      0  .2222  .62       .0167  .0167  .0197 .00835      0      0
NaX       0      0  .2222  .38       .0167  .0167  .0197 .00835      0      0
FeY  .12299 .06149 .63661  .51       .0102  .0073  .0119  .0051 -.0044 -.0022
MgY  .12299 .06149 .63661 .403       .0102  .0073  .0119  .0051 -.0044 -.0022
TiY  .12299 .06149 .63661 .097       .0102  .0073  .0119  .0051 -.0044 -.0022
AlZ  .29832 .26167 .61132 .787       .0063  .0066  .0065  .0031  .0001  .0008
MgZ  .29832 .26167 .61132 .136       .0063  .0066  .0065  .0031  .0001  .0008
FeZ  .29832 .26167 .61132 .077       .0063  .0066  .0065  .0031  .0001  .0008
SiT  .19151 .18985      0            .0057  .0055  .0067  .0026 -.0003 -.0005
B    .11001 .22003 .45175            .0083  .0095  .0079  .0047 -.0003 -.0006
O1        0      0  .7812            .0201  .0201  .0169 .01005      0      0
O2    .0607  .1214  .4764            .0119  .0065  .0147  .0032  .0010  .0020
O3    .2660  .1330  .5125            .0215  .0166  .0058  .0108  .0019  .0009
O4    .0919  .1838  .0710            .0088  .0168  .0114  .0084 -.0006 -.0012
O5    .1814  .0907  .0902            .0158  .0083  .0118  .0079  .0015  .0008
O6    .1953  .1862  .7789            .0114  .0107  .0080  .0061 -.0007 -.0016
O7    .2842  .2835  .0789            .0091  .0076  .0117  .0018 -.0029 -.0007
O8    .2088  .2695  .4411            .0069  .0110  .0184  .0041  .0006  .0020
H1        0      0   .725       .01
H3     .258   .129   .412       .01