Turtmannite
Brugger J, Armbruster T, Meisser N, Hejny C, Grobety B
American Mineralogist 86 (2001) 1494-1505
Description and crystal structure of turtmannite, a new mineral with a
68 Angstrom period related to mcgovernite
Note: z-coordinate of Mn12 has been modified
_database_code_amcsd 0002747
8.259 8.259 204.3 90 90 120 R-3c
atom      x      y      z  occ  Uiso
Mg1   .1412  .4234 .00010  .74  .014
Mn1   .1412  .4234 .00010  .26  .014
Mn2       0      0 .01010       .022
Mg3    .471   .100 .01450  .48  .006
V4      1/3    2/3 .01440  .89  .015
As4     1/3    2/3 .01440  .11  .015
Mn5   .2071  .2585 .02374      .0191
As6     2/3    1/3 .02396  .26  .015
Mn6    .897   .379 .02351 .152   .01
Mg7     1/3    2/3 .03491  .78  .014
Mn7     1/3    2/3 .03491  .22  .014
Mn8   .9039  .3545 .03505 .848 .0173
As9       0      0 .03833  .51  .013
V9        0      0 .03833  .49  .013
Mn10  .1189  .4158 .04864      .0158
Si11    2/3    1/3 .04935  .76  .016
As11    2/3    1/3 .04935  .24  .016
Mn12      0      0 .05965       .035
Mn13  .4217  .3136 .06009      .0153
Si14    1/3    2/3 .06192       .012
Mn15  .1072  .4013 .07179      .0147
Si16    2/3    1/3 .07321       .011
Mn17 -.0746 -.4079   1/12      .0161
V18       0      0 .08057       .012
O1     .481   .096 .00498       .022
O2      1/3    2/3 .00573       .021
O3     .052   .799 .00564       .028
O4     .221   .045 .01779       .023
O5     .385   .494 .01705       .030
O6      2/3    1/3  .0171  .60  .030
O7    .6987   .149 .02909       .023
O8     .561   .709 .02922       .018
O9        0      0 .02997       .011
O10    .959   .170 .04116       .016
O11    .112   .607 .04151       .022
O12     2/3    1/3 .04129       .013
O13    .637   .498 .05276       .015
O14    .184   .233 .05346       .015
O15     1/3    2/3 .05379       .019
O16     2/3    1/3 .06513       .010
O17    .369   .505 .06507       .010
O18   -.162  -.236 .06573       .013
O19    .159   .210 .07771       .016
O20    .872   .392 .07631       .013
O21       0      0 .08860       .015