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X-ray powder diffraction data and structural study of Cd4GeSe6

Published online by Cambridge University Press:  10 January 2013

J. A. Henao ,
J. M. Delgado  and
M. Quintero
J. A. Henao
Affiliation:
Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Apdo. 40, La Hechicera, Mérida 5251, Venezuela
J. M. Delgado*
Affiliation:
Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Apdo. 40, La Hechicera, Mérida 5251, Venezuela
M. Quintero
Affiliation:
Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela
*
b)To whom correspondence should be addressed.
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Abstract

The X-ray powder diffraction pattern of the room temperature phase of Cd4GeSe6, a II4 □ IV VI6 semiconducting material, has been recorded and evaluated. This material crystallizes in the monoclinic space group Cc [No. 9] with a=12.847(3), b=7.407(2), c=12.854(2) Å, β=109.82(1)°, and Z=4. The powder diffraction pattern was also used to refine the crystal structure of this material employing the Rietveld method. The refinement of 56 parameters led to RWP=13.2%, RP=9.95% for 3751 step intensities and RB=7.05% and RF=5.20% for 833 reflections. Cd4GeSe6 can be considered a defect “adamantane-structure” material with a sphalerite-related superstructure.

Type
Research Article
Information
Powder Diffraction , Volume 13 , Issue 4 , December 1998 , pp. 202 - 209
Copyright
Copyright © Cambridge University Press 1998

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