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Scawtite |
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Zhang L, Fu P, Yang H, Yu K, Zhou Z |
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Chinese Science Bulletin 37 (1992) 930-934 |
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Crystal structure of Scawtite |
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Locality: Zoulou iron deposit, Anhui Province, China |
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_database_code_amcsd 0020470 |
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10.0394 15.1935 6.6344 90 115.645 90 Cm |
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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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Ca1 .9971 0 .4714 .009 .008 .007 .011 0 .002 0 |
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Ca2 .1970 .1356 .0004 .010 .013 .007 .008 -.001 .002 .000 |
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Ca3 .9908 .2509 .4863 .008 .008 .007 .007 .000 .002 .000 |
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Ca4 .7731 .1447 .9757 .009 .009 .008 .008 .001 .002 .000 |
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Si1 .7187 .1040 .4209 .005 .005 .006 .005 .001 .001 .000 |
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Si2 .4889 .1765 .9845 .006 .005 .008 .005 .000 .002 .000 |
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Si3 .2650 .1042 .5548 .006 .006 .006 .006 -.001 .003 .000 |
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C 0 0 0 .013 .008 .023 .008 0 .002 0 |
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O1 .8491 .1233 .3785 .010 .008 .010 .013 .000 .005 .002 |
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O2 .7268 0 .5009 .012 .020 .006 .010 0 .006 0 |
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O3 .5921 .1087 .1720 .013 .011 .014 .008 .005 -.003 .002 |
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O4 .6896 .1616 .5955 .011 .015 .010 .009 .003 .006 .000 |
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O5 .5750 .2349 .8899 .011 .011 .013 .011 -.002 .006 -.001 |
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O6 .3974 .2274 .0793 .010 .011 .011 .013 .002 .008 .000 |
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O7 .3986 .1046 .7953 .013 .013 .011 .010 -.002 -.001 .000 |
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O8 .2925 .1614 .3796 .012 .016 .012 .008 -.005 .004 .001 |
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O9 .1392 .1270 .6063 .010 .008 .010 .013 .000 .005 -.001 |
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O10 .2448 0 .4689 .010 .016 .006 .007 0 .003 0 |
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O11 .9760 .0722 .0673 .073 .040 .096 .047 .048 -.015 -.047 |
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O12 .0601 0 .8750 .027 .014 .057 .011 0 .006 0 |
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O13 .3451 0 .1331 .017 .019 .014 .023 0 .013 0 |
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O14 .6566 0 .8528 .015 .018 .013 .015 0 .009 0 |
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H13a .2860 0 .205 .081 |
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H13b .4337 0 .2541 .063 |
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H14a .6503 0 .7039 .035 |
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H14b .5649 0 .8321 .033 |
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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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