Kulanite
Cooper M A, Hawthorne F C
The Canadian Mineralogist 32 (1994) 15-19
Refinement of the crystal structure of kulanite
Note: occupancies of M1 and M2 have been switched, as noted by authors, 2006
Locality: Rapid Creek, Yukon, Canada
_database_code_amcsd 0005343
9.014 12.074 4.926 90 100.48 90 P2_1/m
atom      x       y      z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba   .54695     .75 .74102           .0081  .0090  .0075      0  .0011      0
FeM1 .29518 -.11021  .2092 .59       .0078  .0074  .0080  .0001  .0006 -.0006
MnM1 .29518 -.11021  .2092 .04       .0078  .0074  .0080  .0001  .0006 -.0006
MgM1 .29518 -.11021  .2092 .31       .0078  .0074  .0080  .0001  .0006 -.0006
AlM2  .0914  .40046  .1287 .94       .0062  .0063  .0056 -.0004  .0004      0
FeM2  .0914  .40046  .1287 .06       .0062  .0063  .0056 -.0004  .0004      0
P1    .1559     .75  .6860           .0066  .0063  .0053      0  .0007      0
P2   .33261  .44177  .7046           .0067  .0066  .0056  .0004  .0006  .0006
H1     .117    .228  -.186  .5  .01
H2     .034    .599   .346      .01
O1    .2781     .75  .9471           .0089  .0125  .0061      0 -.0007      0
O2    .2313     .75  .4325           .0109  .0098  .0066      0  .0026      0
O3    .0595   .6453  .6865           .0107  .0088  .0098 -.0037  .0030 -.0013
O4    .3679   .5565  .6099           .0132  .0082  .0098 -.0010  .0021  .0024
O5    .2581   .4521  .9668           .0116  .0141  .0059 -.0009  .0034 -.0009
O6    .2266   .3810  .4700           .0132  .0115  .0082 -.0008 -.0026 -.0011
O7    .4737   .3700  .7881           .0080  .0115  .0129  .0038  .0012  .0028
O8    .1236     .25  .0067           .0125  .0114  .0049      0  .0001      0
O9    .0593   .5572  .1907           .0111  .0102  .0063 -.0007  .0006 -.0031