Bariopharmacosiderite
Hager S L, Leverett P, Williams P A, Mills S J,
Hibbs D E, Raudsepp M, Kampf A R, Birch W D
The Canadian Mineralogist 48 (2010) 1477-1485
The single-crystal X-ray structures of bariopharmacosiderite-C,
bariopharmacosiderite-Q and natropharmacosiderite
Note: sample Bariopharmacosiderite-C
Locality: Robinson's Reef, Clunes, Victoria, Australia
_database_code_amcsd 0020842
7.942 7.942 7.942 90 90 90 P-43m
atom      x     y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
BaBa      0    .5    .5 .156  .016
KBa       0    .5    .5 .013  .016
NaBa      0    .5    .5 .007  .016
FeFe  .1431 .1431 .1431  .99  .016   .016   .016   .016 -.0018 -.0018 -.0018
AlFe  .1431 .1431 .1431  .01  .016   .016   .016   .016 -.0018 -.0018 -.0018
Oh2    .888  .888  .888       .010   .010   .010   .010   .000   .000   .000
AsAs     .5     0     0  .72  .019   .008   .025   .025      0      0      0
PAs      .5     0     0  .28  .019   .008   .025   .025      0      0      0
O1     .124  .387  .124       .031   .029   .036   .036   .003   .003   .005
H      .831  .831  .831       .014
Wat1   .688  .688  .688  .18   .03
Wat2   .198    .5    .5   .3   .03