Gaudefroyite
Antao S M, Hassan I
The Canadian Mineralogist 46 (2008) 183-193
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
Locality: Wessels mine, Kalahari manganese field, South Africa
Sample: HRPXRD, T = 25 C
_database_code_amcsd 0006167
10.60791 10.60791 5.88603 90 90 120 P6_3/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)
Ca1    1/3   2/3   .25     .0094  .0114  .0114  .0051  .0057      0      0
Ca2  .1332 .8323   .25     .0081  .0132  .0108  .0053  .0093      0      0
B    .2180 .7629   .75     .0047   .014  .0032  .0026  .0064      0      0
Mn       0    .5     0     .0060  .0053  .0046  .0054  .0002 -.0024  .0028
C        0     0 .0772  .5 .0392   .046   .046   .025  .0229      0      0
O1   .0932 .4735   .25     .0094  .0212  .0036  .0017  .0004      0      0
O2   .3211 .9191   .75     .0138  .0201  .0230  .0157  .0254      0      0
O3   .3037 .4704 .5399     .0171  .0104  .0309  .0055  .0123 -.0015 -.0009
OC   .0531 .9044 .5745  .5 .0557  .0017  .0484  .0466 -.0296 -.0130  .0385