Grandidierite
Dzikowski T J, Groat L A, Grew E S
American Mineralogist 92 (2007) 863-872
The geometric effects of VFe2+ for VMg substitution on the crystal structures
of the grandidierite-ominelite series
Sample: G2
Locality: Andrahomana, Madagascar
_database_code_amcsd 0004353
10.3403 11.0332 5.7655 90 90 90 Pbnm
atom       x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg    .09438  .21894    .25 .550 .0071  .0083  .0065  .0066 -.0016      0      0
Fe    .09438  .21894    .25 .450 .0071  .0083  .0065  .0066 -.0016      0      0
Al1        0       0      0      .0052  .0053  .0058  .0046  .0002 -.0001  .0000
Al2       .5       0      0      .0055  .0044  .0072  .0048 -.0002  .0001  .0006
Al3   .22648  .44810    .25      .0052  .0042  .0064  .0050 -.0003      0      0
B      .2512   .0002    .75      .0072  .0073  .0069  .0074  .0005      0      0
Si    .43423  .26343    .25      .0053  .0057  .0049  .0053  .0001      0      0
O1     .2763  .28964    .25      .0087  .0059  .0077 .01256 -.0001      0      0
O2     .1182  .02087    .25      .0061  .0055  .0075  .0054  .0006      0      0
O3     .1210 -.00373    .75      .0068  .0054  .0098  .0053  .0002      0      0
O4     .4738  .12070    .25      .0073  .0090  .0063  .0065  .0007      0      0
O5    .54644  .09836    .75      .0061  .0065  .0062  .0058 -.0003      0      0
O6   -.00717  .17034 -.0231      .0079  .0099  .0064  .0073  .0002 -.0018  .0003
O7    .18067  .50109 -.0454      .0082  .0059  .0126  .0060  .0002  .0000  .0006