Crystal structure of Cu2Se
Chem.
Met. Alloys 4 (2011) 200-205
https://doi.org/10.30970/cma4.0184
Lubomir GULAY, Marek DASZKIEWICZ, Oksana STROK,
Adam PIETRASZKO
The crystal structures of the low-temperature
(space group C2/c, Pearson symbol mS144,
a = 7.1379(4) Å, b =
12.3823(7) Å, ñ =
27.3904(9) Å, β =
94.308º, RI =
0.0765) and high-temperature (space group Fm-3m, Pearson symbol cF12, a =
5.859(1) Å, R1 =
0.0391) modifications of Cu2Se were determined by means of X-ray
powder and single crystal diffraction. The basic features of the two
modifications are similar. The Se atoms are stacked in a close-packed
arrangement with the layers in the sequence ABC.
The Cu atoms are distributed over all tetrahedral interstices. The positions of
Cu are completely ordered in the low-temperature modification, whereas they are
disordered in the high-temperature modification.
Unit cell
content and arrangement of Cu atoms in/near one Se4 tetrahedron in
HT-Cu2Se.
Keywords
Cu compounds / Chalcogenides / X-ray single
crystal diffraction / X-ray powder diffraction / Crystal structures