American Mineralogist Crystal Structure Database

1 matching records for this search.

Paceite
Download hom/paceite.pdf
Klop E A, Duisenberg A J M, Spek A L
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=39&spage=1342
Acta Crystallographica C39 (1983) 1342-1344
Reinvestigation of the structure of calcium copper acetate hexahydrate,
CaCu(C2H3O2)4*6H2O
_database_code_amcsd 0009984
11.152 11.152 16.240 90 90 90 I4/m
atom     x      y     z occ  Uiso
Ca      .5      0    .5     .0308
Cu      .5      0   .25     .0264
C1   .6889 -.0876 .3375     .0339
C2   .8069 -.1468 .3550     .0535
O1   .6591 -.0744 .2626     .0376
O2   .6242 -.0545 .3942     .0616
Ow1  .5462  .3299 .3581     .0457
Ow2  .5779  .1951    .5      .057
H1A  .8591 -.0768 .3783  .5  .062
H1B  .8383 -.1452 .4107  .5  .062
H2A  .8367 -.1966 .3082  .5  .062
H2B  .8713 -.1057 .3080  .5  .062
H3A  .7814 -.2068 .4097  .5  .062
H3B  .7961 -.2413 .3295  .5  .062
H4    .555   .283  .324      .070
H5    .489   .352  .361      .070
H6    .567   .240  .458      .064
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