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Ghiaraite |
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Thewalt U, Bugg C E |
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Acta Crystallographica B29 (1973) 615-617 |
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Crystal structure of calcium chloride tetrahydrate |
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Locality: synthetic |
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_database_code_amcsd 0020228 |
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6.593 6.364 8.557 97.77 93.52 110.56 P-1 |
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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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Ca .1188 -.0140 .2615 .0122 .0105 .0083 .0010 .0004 -.0014 |
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Cl1 .2910 -.2777 .0504 .0148 .0128 .0066 .0027 .0016 -.0002 |
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Cl2 -.2495 -.2393 .4130 .0126 .0127 .0074 -.0015 .0008 -.0010 |
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O1 -.1823 -.1871 .0434 .0141 .0134 .0109 .0008 .0010 -.0022 |
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O2 -.0152 .2895 .2715 .0181 .0128 .0091 .0043 -.0007 .0007 |
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O3 .4788 .2409 .2663 .0171 .0165 .0079 -.0024 .0032 -.0024 |
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O4 .2493 -.2509 .4154 .0184 .0154 .0081 .0057 .0004 -.0009 |
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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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Ghiaraite |
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Leclaire A, Borel M M |
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Acta Crystallographica B35 (1979) 585-588 |
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Liaisons hydrogene et coordination du calcium dans les cristaux de CaCl2*4H2O alpha |
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Locality: synthetic |
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_database_code_amcsd 0019787 |
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6.5932 6.3673 8.5606 97.83 93.50 110.58 P-1 |
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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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Ca .11886 -.01387 .26140 .00833 .00946 .00713 .00332 .00043 -.00038 |
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Cl1 .29090 -.27763 .05027 .01266 .01313 .00608 .00566 .00188 .00069 |
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Cl2 -.24963 -.23938 .41330 .01049 .01329 .00679 .00174 .00103 -.00018 |
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O1 -.18298 -.18677 .04402 .01105 .01409 .1064 .00382 .00096 -.00139 |
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O2 -.01529 .28903 .27183 .01607 .01302 .00819 .00682 -.00123 .00094 |
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O3 .47923 .24134 .26680 .01368 .01644 .00748 -.00048 .00314 -.00130 |
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O4 .24816 -.25291 .41486 .01593 .01666 .00703 .00845 .00049 .00085 |
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H11 -.3047 -.1928 .0754 |
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H12 -.2071 -.3242 .0171 |
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H21 .0677 .4132 .3157 |
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H22 -.0842 .3082 .1940 |
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H31 .5429 .3751 .3055 |
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H32 .5449 .3751 .1934 |
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H41 .3803 -.2372 .4052 |
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H42 .2391 -.2334 .5101 |
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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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