American Mineralogist Crystal Structure Database

5 matching records for this search.

Barite
 
Colville A A, Staudhammer K
Download am/vol52/AM52_1877.pdf
American Mineralogist 52 (1967) 1877-1880
A refinement of the structure of barite
from Cow Green mine
_database_code_amcsd 0000163
8.884 5.458 7.153 90 90 90 Pnma
atom     x     y     z Biso
Ba   .1846   .25 .1581  .68
S    .4370   .75 .1914  .37
O1   .5878   .75 .1062 1.56
O2   .3192   .75 .0515 1.63
O3   .4186 .9702 .3190  .85
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Barite
 
Miyake M, Minato I, Morikawa H, Iwai S I
Download am/vol63/AM63_506.pdf
American Mineralogist 63 (1978) 506-510
Crystal structure and sulphate force constants of barite, celesite, and
anglesite
_database_code_amcsd 0000662
7.157 8.884 5.457 90 90 90 Pbnm
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba   .1585 .1845   .25  .0042  .0027  .0087 -.0002      0      0
S    .1911 .4375   .75  .0037  .0028  .0062 -.0001      0      0
O1   .1060 .5878   .75  .0090  .0043  .0170  .0026      0      0
O2   .0494 .3177   .75  .0039  .0088  .0140 -.0030      0      0
O3   .3114 .4199 .9702  .0054  .0048  .0071 -.0003 -.0012  .0001
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Barite
 
Antao S M
 
American Mineralogist 97 (2012) 661-665
Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4):
confirmation of expected variations within SO4 groups
Locality: Elk Creek, South Dakota, USA
_database_code_amcsd 0018846
7.15505 8.88101 5.45447 90 90 90 Pbnm
atom      x      y     z  occ   Uiso
Ba   .15803 .18445   .25 .985 .01120
Sr   .15803 .18445   .25 .007 .01120
Mg   .15803 .18445   .25 .002 .01120
Ca   .15803 .18445   .25 .002 .01120
S    .19161 .43803   .75       .0061
O1    .1081  .5874   .75       .0178
O2    .0480  .3187   .75       .0104
O3    .3101  .4200 .9695       .0086
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Barite
 
Hill R J
Download cm/vol15/CM15_522.pdf
The Canadian Mineralogist 15 (1977) 522-526
A further refinement of the barite structure
_database_code_amcsd 0005144
8.8842 5.4559 7.1569 90 90 90 Pnma
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba   .1845   .25 .1585  .0023  .0086  .0038      0 -.0003      0
S    .4373   .75 .1913  .0026  .0087  .0033      0  .0003      0
O1   .5890   .75 .1066  .0029  .0174  .0111      0  .0015      0
O2   .3183   .75 .0518  .0070  .0197  .0054      0 -.0017      0
O3   .4204 .9700 .3116  .0035  .0097  .0048  .0015 -.0003 -.0011
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Barite
 
Jacobsen S D, Smyth J R, Swope R J, Downs R T
Download cm/vol36/CM36_1053.pdf
The Canadian Mineralogist 36 (1998) 1053-1060
Rigid-body character of the SO4 groups in celestine, anglesite and
barite
_database_code_amcsd 0005559
7.1540 8.8790 5.4540 90 90 90 Pbnm
atom      x      y     z U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Ba   .15842 .18453   .25 .01025 .00843 .01298 -.00048      0      0
S    .19082 .43749   .75  .0091  .0084  .0093  .00033      0      0
O1    .1072  .5870   .75  .0266  .0131  .0280   .0105      0      0
O2    .0498  .3176   .75  .0117  .0209  .0202  -.0067      0      0
O3    .3118  .4194 .9704  .0149  .0149  .0103  -.0020 -.0028  .0008
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 5
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