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2003•physica status solidi (a)Requires access

Rietveld refinement of the semiconducting compound CdGaCrS4 from X-ray powder diffraction

Gerzón E. Delgado, Asiloé J. Mora, Luis Betancourt, V. Sagredo

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Abstract

The semiconducting compound CdGaCrS4 was refined from an X-ray powder diffraction pattern using the Rietveld method. The X-ray powder pattern was mainly composed of CdGaCrS4 (88.3%), with CdGa2S4 (9.9%) and Cr2S3 (1.8%) appearing as secondary phases. The CdGaCrS4 phase crystallizes in the space group Fd-3m (No 227), Z = 8, with a = 10.1800(3) Å, V = 1054.98(5) Å3. The refinement of 28 instrumental and structural parameters led to Rp = 9.6 %, Rwp = 12.5 %, Rexp = 10.5 % and S = 1.2. (© 2003 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

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The semiconducting compound CdGaCrS4 was refined from an X-ray powder diffraction pattern using the Rietveld method. The X-ray powder pattern was mainly composed of CdGaCrS4 (88.3%), with CdGa2S4 (9.9%) and Cr2S3 (1.8%) appearing as secondary phases. The CdGaCrS4 phase crystallizes in the space group Fd-3m (No 227), Z = 8, with a = 10.1800(3) Å, V = 1054.98(5) Å3. The refinement of 28 instrumental and structural parameters led to Rp = 9.6 %, Rwp = 12.5 %, Rexp = 10.5 % and S = 1.2. (© 2003 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

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Available abstract

The semiconducting compound CdGaCrS4 was refined from an X-ray powder diffraction pattern using the Rietveld method. The X-ray powder pattern was mainly composed of CdGaCrS4 (88.3%), with CdGa2S4 (9.9%) and Cr2S3 (1.8%) appearing as secondary phases. The CdGaCrS4 phase crystallizes in the space group Fd-3m (No 227), Z = 8, with a = 10.1800(3) Å, V = 1054.98(5) Å3. The refinement of 28 instrumental and structural parameters led to Rp = 9.6 %, Rwp = 12.5 %, Rexp = 10.5 % and S = 1.2. (© 2003 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

Key concepts: Rietveld refinement, Powder diffraction, X-ray, Crystallography, Diffraction, Materials science, X-ray crystallography, Crystal structure

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