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

  • Shunli Wang (a1), Guanglie Lü (a1) and Weihua Tang (a1)


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.


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

  • Shunli Wang (a1), Guanglie Lü (a1) and Weihua Tang (a1)


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