Despujolsite
Mereiter K, Walter F, Bojar H P
Mineralogy and Petrology 117 (2023) s00710-023-00837-y
Mallestigite, Pb3Sb(SO4)(AsO4)(OH)6·3H2O, from the type locality - new data,
crystal structure, and structural relationships
Note: refined with the structure factors from Barkley et al (2011)
Locality: N'Chwaning III mine, Kalahari Manganese Field, South Africa
_database_code_amcsd 0021226
8.5405 8.5405 10.8094 90 90 120 P6_3/mmc
atom      x      y       z   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Mn        0      0       0 .00849 .00923 .00923 .00702 .00461       0      0
Ca   .15175 .30350     .25 .01089 .01254 .00900 .00996 .00450       0      0
S       1/3    2/3  .02545 .00937 .00997 .00997 .00815 .00499       0      0
O1      1/3    2/3 -.11154 .01666 .02114 .02114 .00770 .01057       0      0
O2   .23918 .47837  .06887 .01887 .02401 .01059 .01752 .00530  .00160 .00320
O3H  .89895 .10105  .11072 .01153 .01274 .01274 .01095 .00776 -.00013 .00013
O4W  .50750 .49250     .25 .01845 .02386 .02386 .01377 .01653       0      0
H1   .85462 .14538  .07534 .02980
H2   .53919 .46081  .19384 .05604