American Mineralogist Crystal Structure Database

2 matching records for this search.

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
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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