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-Q
Locality: Sunny Corner mine, Sunny Corner, New South Wales, Australia
_database_code_amcsd 0020841
7.947 7.947 8.049 90 90 90 P-42m
atom      x     y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba       .5    .5     0  .50 .0330   .033   .033   .033      0      0      0
Fe    .1422 .1422 .1437      .0078  .0064  .0064  .0110 -.0004 -.0004 -.0004
Oh2   .8858 .8858 .8868       .011   .014   .014   .007  -.001  -.001  -.001
As1       0     0    .5      .0112  .0110  .0110   .012      0      0      0
As2      .5     0     0      .0148  .0077   .019  .0175      0      0      0
O1A   .1248 .1248 .3830       .016   .016   .016   .015  -.002   .000   .000
O1B   .1252 .3855 .1214       .012   .014   .004   .016  -.002  -.004   .002
H      .828  .828  .821       .020
Wat1A  .333  .333  .740  .50  .017
Wat1B  .326  .255  .673 .145  .015
Wat2A    .5     0    .5  .70  .020
Wat2B  .160    .5    .5  .30  .022
Wat2C    .5    .5  .129  .20  .016