Wyckoff R W G
Crystal Structures 1 (1963) 85-237
Second edition. Interscience Publishers, New York, New York
Note: ZnS structure, sphalerite structure
5.4057 5.4057 5.4057 90 90 90 F-43m
atom x y z
Cu 0 0 0
Cl .25 .25 .25
Hull S, Keen D A
Physical Review B 50 (1994) 5868-5885
High-pressure polymorphism of the copper(I) halides:
A neutron-diffraction study to ~10 GPa
Note: P = 0 GPa
Note: known as CuCl-II
5.4202 5.4202 5.4202 90 90 90 F-43m
atom x y z Biso
Cu 0 0 0 2.99
Cl .25 .25 .25 1.88
Note: P = 5.52 GPa
Note: known as CuCl-IV
6.4162 6.4162 6.4162 90 90 90 Pa3
Cu .6297 .6297 .6297 2.11
Cl .1527 .1527 .1527 1.21
Note: P = 9.24 GPa
6.3104 6.3104 6.3104 90 90 90 Pa3
Cu .6294 .6294 .6294 2.02
Cl .1540 .1540 .1540 0.87
Note: P = 10.49 GPa
Note: rocksalt structure
Note: known as CuCl-V
4.9290 4.9290 4.9290 90 90 90 Fm3m
Cu 0 0 0 1.33
Cl .5 .5 .5 0.77
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then hitting the "Download Selected Data" button.
Total number of retrieved datasets: 5 View in amc, download in amc
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