Natrochalcite
Chevrier G, Giester G, Zemann J
Zeitschrift fur Kristallographie 206 (1993) 7-14
Neutron refinements of NaCu2(H3O2)(SO4)2 and RbCu2(H3O2)(SeO4)2:
Variation of the hydrogen bond system in the natrochalcite-type series
Locality: synthetic
_database_code_amcsd 0011040
8.809 6.187 7.509 90 118.74 90 C2/m
atom      x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na        0    .5    .5      .0152  .0389  .0170      0  .0037      0
Cu      .25   .25     0      .0053  .0052  .0072  .0003  .0021 -.0011
S     .0909     0 .3013      .0048  .0059  .0035      0  .0012      0
O1    .1931     0 .1919      .0131  .0118  .0145      0  .0109      0
O2    .2091     0 .5177      .0137  .0163  .0048      0 -.0004      0
O3   -.0201 .1967 .2440      .0073  .0077  .0107  .0014  .0020 -.0002
Oh    .1576    .5 .0754      .0056  .0069  .0076      0  .0033      0
H1    .0169    .5 .0069  .5  .0072  .0169  .0231      0  .0102      0
H2    .2070    .5 .2239      .0222  .0248  .0148      0  .0087      0