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: G8
Locality: Long Lake, Larsemann Hills, Antarctica
_database_code_amcsd 0004349
10.3330 10.9858 5.7667 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    .09262 .21906    .25 .874 .0068  .0079  .0065  .0062 -.0013      0      0
Fe    .09262 .21906    .25 .126 .0068  .0079  .0065  .0062 -.0013      0      0
Al1        0      0      0      .0053  .0055  .0057  .0047  .0001 -.0002  .0001
Al2       .5      0      0      .0054  .0046  .0068  .0048 -.0002  .0003  .0005
Al3   .22643 .44799    .25      .0050  .0043  .0060  .0048 -.0004      0      0
B      .2512  .0004    .75      .0079  .0077   .008  .0074  .0005      0      0
Si    .43370 .26325    .25      .0054  .0059  .0050  .0053 -.0000      0      0
O1     .2756  .2883    .25      .0088  .0065  .0078  .0122  .0000      0      0
O2     .1183  .0222    .25      .0067  .0062  .0080  .0059 -.0002      0      0
O3     .1211 -.0033    .75      .0071  .0055  .0100  .0058  .0002      0      0
O4     .4738  .1202    .25      .0077  .0099  .0063  .0071  .0010      0      0
O5     .5465  .0999    .75      .0065  .0066  .0068  .0061 -.0003      0      0
O6   -.00756 .17090 -.0227      .0078  .0099  .0064  .0070  .0002 -.0015  .0004
O7    .18059 .50118 -.0452      .0084  .0060  .0129  .0062  .0001  .0001  .0008