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Kettnerite |
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Grice J D, Cooper M A, Hawthorne F C |
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The Canadian Mineralogist 37 (1999) 923-927 |
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Crystal-structure determination of twinned kettnerite |
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3.7976 3.7976 13.569 90 90 90 *Pmmn |
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.25 .25 0 |
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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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Ca .25 .25 .4000 .0074 .0074 .0096 0 0 0 |
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Bi .25 .25 .09435 .0118 .0118 .0094 0 0 0 |
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C .75 .75 .2558 .0135 .0135 .0034 0 0 0 |
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O1 .75 .25 0 .0071 .0071 .0091 0 0 0 |
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O2 .75 .75 .1576 .0312 .0312 .0078 0 0 0 |
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O3 .546 .25 -.2991 .0148 .0117 .0198 0 .0047 0 |
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F .75 .25 .5 .0125 .0125 .0114 0 0 0 |
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Kettnerite |
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Hybler J, Dusek M |
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European Journal of Mineralogy 19 (2007) 411-418 |
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Revision of the crystal structure of kettnerite CaBi[OFCO3] |
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Locality: Krupka, Czech Republic |
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5.3641 5.3641 13.5771 90 90 90 Pbaa |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .25 0 .4002 .008 .010 .003 .009 .001 0 0 |
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Bi .25 0 .09429 .0117 .0127 .0124 .0101 .0008 0 0 |
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F .019 .25 .5 .005 |
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C .25 .5 .2555 .016 |
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O1 .003 .25 0 .005 |
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O2 .25 .5 .1609 .021 |
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O3 .383 .344 .2990 .009 |
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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
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