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Synthesis and crystal structure of Co2(OH)2CO3 by Rietveld method

Published online by Cambridge University Press:  06 March 2012

Shunli Wang,
Guanglie Lü and
Weihua Tang
Shunli Wang*
Affiliation:
Department of Physics, Center for Optoelectronics Materials and Devices, Zhejiang Sci-Tech University, Hangzhou 310018, People’s Republic of China
Guanglie Lü
Affiliation:
Department of Physics, Center for Optoelectronics Materials and Devices, Zhejiang Sci-Tech University, Hangzhou 310018, People’s Republic of China
Weihua Tang*
Affiliation:
Department of Physics, Center for Optoelectronics Materials and Devices, Zhejiang Sci-Tech University, Hangzhou 310018, People’s Republic of China
*
a)Author to whom correspondence should be addressed.
a)Author to whom correspondence should be addressed.
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Abstract

A new cobalt hydroxide carbonate Co2(OH)2CO3 was successfully synthesized by a hydrothermal method. The compound is isomorphous with malachite [Cu2(OH)2CO3] and crystallizes in a monoclinic system [space group P21/a (No. 14); a=9.448(5) Å, b=12.186(9) Å, c=3.188(4) Å, β=98.593°, V=367.143(9) Å3, Z=4, and Dc=3.786(9) g/cm3]. Crystal structure of Co2(OH)2CO3 was refined by the Rietveld method with RP=4.3%, RWP=5.7%, Rexp=5.1%, RB=1.74%, and S=1.117 on the basis of the X-ray powder diffraction data. The crystal structure of Co2(OH)2CO3 obtained by the Rietveld refinement shows that all species Co2+, CO32−, and OH− ions occupy C1 site symmetry. Two crystallographically different Co2+ and OH− ions and one type CO32− ion exist in the lattice. Co(1) is coordinated to two oxygen atoms from CO32− ions and two OH− ions; Co(2) is coordinated to two oxygen atoms from CO32− ions and four OH− ions, thus forming a distorted octahedron with (4+2) coordination.

Keywords

Co2(OH)2CO3crystal structureRietveld methodTEMSEADHRTEM

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Type
Technical Articles
Information
Powder Diffraction , Volume 25 , Supplement S1 , September 2010, pp. S7 - S10
Copyright
Copyright © Cambridge University Press 2010

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