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