Barite
Colville A A, Staudhammer K
American Mineralogist 52 (1967) 1877-1880
A refinement of the structure of barite
Locality: Cow Green mine, Teesdale, Durham, England
_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
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
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
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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