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Kaliochalcite |
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Chevrier G, Giester G, Jarosch D, Zemann J |
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Acta Crystallographica C46 (1990) 175-177 |
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Neutron diffraction study of the hydrogen-bond system |
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in Cu2K(H3O2)(SO4)2 |
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Locality: synthetic |
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_database_code_amcsd 0010091 |
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8.955 6.265 7.628 90 117.45 90 C2/m |
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atom x y z occ Biso |
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K 0 .5 .5 1.13 |
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Cu .25 .25 0 .63 |
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S .08005 0 .28776 .52 |
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O1 .18600 0 .18542 .85 |
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O2 .18462 0 .49968 1.10 |
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O3 -.02809 .19442 .22737 .84 |
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Oh .15621 .5 .07523 .68 |
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H1 .01876 .5 .01207 .5 1.63 |
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H2 .20284 .5 .21942 1.93 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Kaliochalcite |
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Giester G, Zemann J |
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Zeitschrift fur Kristallographie 179 (1987) 431-442 |
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The crystal structure of the natrochalcite-type compounds (Me+)Cu2(OH)(zO4)2*H2O |
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[Me+ = Na,K,Rb; z = S,Se], with special reference to the hydrogen bonds |
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Locality: synthetic |
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_database_code_amcsd 0010973 |
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8.955 6.265 7.628 90 117.45 90 C2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 .5 .5 .0096 .0203 .0106 0 .0029 0 |
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Cu .25 .25 0 .0057 .0072 .0110 .0003 .0027 -.0010 |
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S .08019 0 .28786 .0053 .0079 .0069 0 .0024 0 |
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O1 .1862 0 .1851 .0099 .0137 .0124 0 .0074 0 |
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O2 .1847 0 .5000 .0106 .0216 .0068 0 .0016 0 |
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O3 -.0283 .1946 .2276 .0080 .0086 .0133 .0016 .0025 -.0008 |
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Wat4 .1560 .5 .0746 .5 .0071 .0090 .0107 0 .0042 0 |
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OH4 .1560 .5 .0746 .5 .0071 .0090 .0107 0 .0042 0 |
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H .184 .5 .194 .5 |
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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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