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Svyatoslavite |
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Krivovichev S V, Shcherbakova E P, Nishanbaev T P |
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The Canadian Mineralogist 50 (2012) 585-592 |
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The crystal structure of svyatoslavite and evolution of complexity during |
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crystallization of a CaAl2Si2O8 melt: A structural automata description |
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Locality: mine #45 near Kopeysk, Chelyabinsk area, southern Urals, Russia |
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_database_code_amcsd 0019485 |
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8.220 8.951 4.828 90 90.00 90 P2_1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .74926 .47314 .8554 .919 .0118 .0071 .0096 .0186 .0000 -.0008 -.0024 |
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Ca2 .7526 .4962 .662 .081 .024 .0079 .0084 .0074 .0008 -.0003 .0003 |
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Al1 .07023 .34176 .3974 .0079 .0056 .0075 .0075 -.0006 .0008 -.0002 |
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Al2 .56514 .13918 .8973 .0069 .0065 .0083 .0076 .0004 -.0002 .0002 |
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Si1 .95079 .15317 .9024 .0074 .0045 .0075 .0070 -.0001 -.0005 -.0010 |
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Si2 .44897 .32920 .3900 .0063 .0062 .0113 .0091 .0016 -.0036 -.0015 |
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O1 .0658 .1826 .1703 .0089 .0066 .0091 .0162 -.0007 -.0039 -.0017 |
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O2 .0295 -.0019 .7630 .0106 .0034 .0321 .0139 .0005 .0016 .0054 |
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O3 .7656 .1396 -.0006 .0165 .0095 .0113 .0111 .0010 .0013 .0007 |
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O4 .9572 .3018 .6939 .0106 .0118 .0091 .0075 -.0018 -.0017 .0022 |
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O5 .5605 .2936 .6601 .0095 .0147 .0094 .0108 -.0002 -.0030 .0028 |
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O6 .5369 .4718 .2226 .0117 .0073 .0256 .0146 .0035 -.0006 -.0097 |
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O7 .2698 .3763 .4783 .0159 .0151 .0084 .0112 -.0033 -.0002 -.0029 |
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O8 .4441 .1773 .1883 .0116 .0071 .0096 .0186 .0000 -.0008 -.0024 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Svyatoslavite |
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Takeuchi Y, Haga N, Ito J |
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Zeitschrift fur Kristallographie 137 (1973) 380-398 |
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The crystal structure of monoclinic CaAl2Si2O8: |
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a case of monoclinic structure closely simulating orthorhombic symmetry |
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Locality: synthetic |
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_database_code_amcsd 0019486 |
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8.228 8.621 4.827 90 90.00 90 P2_1 |
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atom x y z occ Biso |
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Ca1 .7470 .4738 .8642 .403 .48 |
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Ca2 .2498 0 .3440 .564 1.42 |
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SiT1 .9503 .1498 .8945 .25 |
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AlT2 .0650 .3360 .3976 .70 |
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SiT3 .4454 .3276 .3952 .45 |
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AlT4 .5676 .1373 .8941 .62 |
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O1 .0609 .1819 .1737 1.05 |
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O2 .0380 .0021 .7381 .88 |
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O3 .7614 .1378 .0021 1.47 |
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O4 .9540 .2974 .6863 .50 |
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O5 .5619 .2930 .6604 .60 |
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O6 .5254 .4807 .2486 1.30 |
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O7 .2664 .3714 .4789 .81 |
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O8 .4408 .1762 .1895 1.11 |
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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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