Despujolsite
Barkley M C, Yang H, Evans S H, Downs R T, Origlieri M J
Acta Crystallographica E67 (2011) i47-i48
Redetermination of despujolsite, Ca3Mn4+(SO4)2(OH)6*3H2O
Locality: N'Chwaning III mine, Kalahari Manganese Field, South Africa
_database_code_amcsd 0018458
8.5405 8.5405 10.8094 90 90 120 P-62c
atom     x      y       z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .1521 .30348     .25 .01085  .0137 .00918 .00980  .0058      0      0
Mn       0      0       0 .00846 .00919 .00919  .0070 .00460      0      0
S      1/3    2/3  .02544 .00936 .01001 .01001  .0081 .00501      0      0
O1     1/3    2/3 -.11153  .0167  .0213  .0213  .0075  .0107      0      0
O2   .2419 .47842  .06891  .0188   .027  .0106  .0170   .008   .004  .0033
Oh3  .8945  .0966  .11070  .0109  .0084  .0148  .0107  .0067 -.0006 -.0004
OW4  .5006  .4853     .25  .0171   .019   .023  .0136  .0138      0      0
H1    .836   .125    .076   .026
H2    .521   .445    .193   .046