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Rietveld refinement of the structure of copper indium diselenide
Author(s) -
Paszkowicz Wojciech,
Bacewicz Rajmund,
Wojciechowski Tomasz
Publication year - 2015
Publication title -
x‐ray spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.447
H-Index - 45
eISSN - 1097-4539
pISSN - 0049-8246
DOI - 10.1002/xrs.2643
Subject(s) - diffractometer , rietveld refinement , indium , copper , crystallography , powder diffraction , diselenide , crystal structure , materials science , chalcopyrite , powder diffractometer , diffraction , chemistry , metallurgy , selenium , optics , physics
Structure refinement for copper indium diselenide, CuInSe 2 , based on powder diffraction data is reported. The studied sample was prepared by grinding a single crystal grown using the vertical Bridgman–Stockbarger method. The diffraction data were collected using a high‐resolution powder diffractometer. Rietveld refinement for CuInSe 2 provides the following lattice parameters values for the chalcopyrite‐type unit cell: a = 5.78277(9) Å, c = 11.6211(2) Å. The Se fractional coordinate is x Se = 0.2285(2) and the calculated density is 5.748(2) g/cm 3 . These structural data are briefly discussed on the basis of the earlier reported data. Copyright © 2015 John Wiley & Sons, Ltd.