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Paceite |
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Klop E A, Duisenberg A J M, Spek A L |
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Acta Crystallographica C39 (1983) 1342-1344 |
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Reinvestigation of the structure of calcium copper acetate hexahydrate, |
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CaCu(C2H3O2)4*6H2O |
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_database_code_amcsd 0009984 |
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11.152 11.152 16.240 90 90 90 I4/m |
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atom x y z occ Uiso |
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Ca .5 0 .5 .0308 |
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Cu .5 0 .25 .0264 |
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C1 .6889 -.0876 .3375 .0339 |
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C2 .8069 -.1468 .3550 .0535 |
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O1 .6591 -.0744 .2626 .0376 |
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O2 .6242 -.0545 .3942 .0616 |
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Ow1 .5462 .3299 .3581 .0457 |
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Ow2 .5779 .1951 .5 .057 |
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H1A .8591 -.0768 .3783 .5 .062 |
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H1B .8383 -.1452 .4107 .5 .062 |
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H2A .8367 -.1966 .3082 .5 .062 |
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H2B .8713 -.1057 .3080 .5 .062 |
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H3A .7814 -.2068 .4097 .5 .062 |
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H3B .7961 -.2413 .3295 .5 .062 |
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H4 .555 .283 .324 .070 |
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H5 .489 .352 .361 .070 |
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H6 .567 .240 .458 .064 |
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K1.33Na.67Si2O5 |
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Spek A L, Jong B H W S |
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Acta Crystallographica E61 (2005) i188-i190 |
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Potassium sodium phyllosilicate, K1.33Na0.67Si2O6 |
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Locality: synthetic |
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_database_code_amcsd 0010457 |
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19.6816 7.2656 12.5710 90 117.820 90 C2/c |
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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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K1 .06258 .6274 .16520 .0293 .0291 .0260 .0241 -.0036 .0052 .0052 |
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K2 .25138 .3240 .33695 .0246 .0325 .0325 .0125 .0087 .0136 .0084 |
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Na .08060 .0864 .09417 .0209 .0224 .0163 .0138 -.0039 .0000 .0042 |
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Si1 .15093 .3950 .00188 .0083 .0097 .0067 .0070 -.0008 .0027 .0011 |
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Si2 .06654 .7460 -.11486 .0085 .0094 .0073 .0051 -.0010 .0003 .0002 |
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Si3 .32560 .4508 .11444 .0131 .0097 .0075 .0180 -.0008 .0030 -.0026 |
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O11 .1430 .3936 .1196 .0219 .026 .027 .015 .005 .0116 .0052 |
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O12 .2340 .4647 .0170 .0162 .014 .012 .020 -.0015 .0057 .0082 |
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O13 .1349 .1899 -.0584 .0181 .016 .011 .028 -.0030 .0109 -.0073 |
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O14 .0870 .5250 -.1061 .0114 .0137 .0085 .0078 -.0016 .0014 .0005 |
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O21 .0425 .8137 -.0203 .0303 .060 .023 .022 .017 .031 .009 |
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O22 .1441 .8450 -.1007 .0338 .017 .010 .074 -.0042 .021 -.009 |
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O23 0 .7746 -.25 .0305 .039 .012 .012 0 -.012 0 |
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O31 .3418 .4068 .2448 .0311 .018 .056 .011 -.007 -.0003 -.008 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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