Hafner S S, Nagel S
Physics and Chemistry of Minerals 9 (1983) 19-22
The electric field gradient at the position of copper in
Cu2O and electronic charge density analysis by means of K-factors
4.2696 4.2696 4.2696 90 90 90 Pn3
atom x y z
Cu .25 .25 .25
O 0 0 0
Kirfel A, Eichhorn K
Acta Crystallographica A46 (1990) 271-284
Accurate structure analysis with synchrotron radiation.
The electron density in Al2O3 and Cu2O
Locality: synthetic
Note: Atomic parameters were mislabeled in the publication.
They have been fixed in this dataset.
4.2685 4.2685 4.2685 90 90 90 Pn3m
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu .25 .25 .25 .01900 .01900 .01900 -.00084 -.00084 -.00084
O 0 0 0 .01880 .01880 .01880 0 0 0
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