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CaIrO3 |
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Sugahara M, Yoshiasa A, Yoneda A, Hashimoto T, Sakai S, Okube M, |
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Nakatsuka A, Ohtaka O |
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American Mineralogist 93 (2008) 1148-1152 |
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Single-crystal X-ray diffraction study of CaIrO3 |
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Note: post-perovskite structure |
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Locality: Synthetic |
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_database_code_amcsd 0004613 |
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3.1472 9.8655 7.3018 90 90 90 Cmcm |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca 0 .7492 .25 .40 .0027 .0080 .0045 0 0 0 |
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Ir 0 0 0 .32 .0026 .00624 .0033 0 0 .0040 |
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O1 0 .0779 .25 .70 .0115 .0042 .0108 0 0 0 |
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O2 0 .3658 .4452 .79 .0111 .0076 .0113 0 0 -.0029 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Conichalcite |
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Sakai S, Yoshiasa A, Sugiyama K, Miyawaki R |
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Journal of Mineralogical and Petrological Sciences 104 (2009) 125-131 |
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Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH) |
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Locality: Higgins mine, Arizona, USA |
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_database_code_amcsd 0018380 |
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7.3849 5.8379 9.1937 90 90 90 P2_12_12_1 |
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atom x y z occ Uiso |
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Ca .1168 .2706 .4258 .0082 |
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Cu .0050 -.0004 .7494 .96 .0093 |
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Mg .0050 -.0004 .7494 .04 .0093 |
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As .3681 -.2350 .5802 .0081 |
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O1 .1884 -.255 .6983 .011 |
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O2 .541 -.167 .6912 .016 |
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O3 .387 .514 .4908 .015 |
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O4 .355 -.007 .4697 .012 |
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O5 .139 .254 .6814 .010 |
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H .25 .26 .72 .03 |
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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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Conichalcite |
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Sakai S, Yoshiasa A, Sugiyama K, Miyawaki R |
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Journal of Mineralogical and Petrological Sciences 104 (2009) 125-131 |
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Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH) |
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Locality: Gozaisho mine, Fukushima, Japan |
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_database_code_amcsd 0018381 |
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7.429 5.852 9.215 90 90 90 P2_12_12_1 |
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atom x y z occ Uiso |
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Ca .1169 .2700 .4253 .0123 |
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Cu .0049 -.0014 .7490 .87 .0167 |
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Mg .0049 -.0014 .7490 .13 .0167 |
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As .3679 -.2355 .5791 .0167 |
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O1 .1895 -.255 .6957 .017 |
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O2 .538 -.171 .690 .025 |
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O3 .387 .515 .488 .022 |
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O4 .355 -.008 .467 .020 |
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O5 .137 .255 .681 .020 |
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H .23 .21 .70 .02 |
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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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