Rietveld refinement of the structure of copper indium diselenide | Zendy

Paszkowicz Wojciech | Zendy; Bacewicz Rajmund | Zendy; Wojciechowski Tomasz | Zendy

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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.

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