American Mineralogist Crystal Structure Database

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Natropharmacosiderite
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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
Locality: Gold Hill mine, Utah, USA
7.928 7.928 7.928 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)
NaNa   .050    .5    .5 .125  .023
KNa    .050    .5    .5 .023  .023
BaNa   .050    .5    .5 .018  .023
Fe    .1429 .1429 .1429      .0229  .0229  .0229  .0229 -.0001 -.0001 -.0001
As       .5     0     0      .0201  .0163  .0220  .0220      0      0      0
O1    .1261 .1261 .3826       .026   .029   .029   .019  -.010   .002   .002
Oh2   .8861 .8861 .8861       .018   .018   .018   .018   .001   .001   .001
H     .8283 .8283 .8283       .021
Wat3   .692  .692  .692   .5  .041
Wat4   .130    .5    .5  .33  .037
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