Sturmanite
Pushcharovsky D Y, Lebedeva Y S, Zubkova N V, Pasero M, Bellezza M,
Merlino S, Chukanov N V
The Canadian Mineralogist 42 (2004) 723-729
The crystal structure of sturmanite
Locality: Black Rock mine, Kuruman District, Kalahari manganese field, North Cape province, South Africa
_database_code_amcsd 0005934
11.188 11.188 21.91 90 90 120 P31c
atom      x     y     z occ  Uiso
Fe1       0     0 .0527 .29 .0162
Fe2       0     0 .3015 .30 .0174
Ca1   .0088 .8133 .9276     .0224
Ca2   .9966 .1941 .1775     .0298
S1      1/3   2/3 .5454 .24 .0177
B1      1/3   2/3 .5378 .09  .020
S2      1/3   2/3 .8032     .0253
S3      1/3   2/3 .0571     .0341
B4      1/3   2/3 .3036      .049
O1    .9911 .1295 .9935      .028
O2    .0077 .8616 .1070      .024
O3   -.0028 .1371 .8609      .024
O4    .0057 .8691 .2456      .041
O5    .0023 .3355 .0986      .041
O6    .0157 .6591 .0077      .040
O7    .9939 .3553 .2560      .075
O8    .9952 .6660 .8428      .034
O9    .2655 .4111 .6759      .056
O10   .7416 .5858 .4296      .036
O11   .2397 .3986 .1820      .038
O12   .7393 .5784 .9240      .084
O13     1/3   2/3 .4816 .24  .135
O14     1/3   2/3 .7369 .17  .046
O14'    1/3   2/3 .8694 .17  .046
O15     1/3   2/3 .1218      .017
O16   .1995 .6326 .5671      .025
O17   .1914  .579 .8233 .50  .044
O17'  .1963  .632 .7728 .50  .044
O18   .1917 .5844 .0421      .169
O19   .2325 .7100 .2816 .50  .076
O19'  .1861  .572 .3248 .50  .076
O20     1/3   2/3 .3702 .17  .091
O20'    1/3   2/3 .2363 .17  .091