American Mineralogist Crystal Structure Database

2 matching records for this search.

Natrochalcite
Download hom/natrochalcite.pdf
Giester G, Zemann J
Download zk/vol179/ZK179_431.pdf
Zeitschrift fur Kristallographie 179 (1987) 431-442
The crystal structure of the natrochalcite-type compounds Me+Cu2(OH)(zO4)2*H2O
[Me+ = Na,K,Rb; z = S,Se], with special reference to the hydrogen bonds
Locality: synthetic
_database_code_amcsd 0010968
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  .0364  .0184      0  .0048      0
Cu      .25   .25      0      .0060  .0062  .0083  .0004  .0026 -.0009
S    .09107     0 .30151      .0055  .0070  .0051      0  .0022      0
O1    .1933     0   .192      .0142  .0134  .0145      0  .0109      0
O2    .2088     0  .5181      .0140  .0183  .0056      0  .0007      0
O3   -.0201 .1969  .2442      .0080  .0077  .0120  .0014  .0027  .0001
OH4   .1574    .5  .0750  .5  .0064  .0076  .0073      0  .0036      0
Wat4  .1574    .5  .0750  .5  .0064  .0076  .0073      0  .0036      0
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View JMOL 3-D Structure (permalink)
 
Natrochalcite
Download hom/natrochalcite.pdf
Chevrier G, Giester G, Zemann J
Download zk/vol206/ZK206_7.pdf
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
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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Total number of retrieved datasets: 2
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