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Syntheses, Structures, and Theoretical Studies of New Ternary Antimonides β-RECoSb3 (RE = La–Nd, Sm)

  1. Wei-Zhao Cai1,2,
  2. Li-Ming Wu1,
  3. Long-Hua Li1,2,
  4. Ling Chen1,3

Article first published online: 9 DEC 2008

DOI: 10.1002/ejic.200800836

Issue

European Journal of Inorganic Chemistry

European Journal of Inorganic Chemistry

Volume 2009, Issue 2, pages 230–237, January 2009

Additional Information

How to Cite

Cai, W.-Z., Wu, L.-M., Li, L.-H. and Chen, L. (2009), Syntheses, Structures, and Theoretical Studies of New Ternary Antimonides β-RECoSb3 (RE = La–Nd, Sm). Eur. J. Inorg. Chem., 2009: 230–237. doi: 10.1002/ejic.200800836

Author Information

  1. 1

    State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, People's Republic of China, Fax: +86-591-83704947

  2. 2

    Graduate School of the Chinese Academy of Sciences, Beijing 100039, People's Republic of China

  3. 3

    State Key Laboratory for Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen 361005, People's Republic of China

Publication History

  1. Issue published online: 29 DEC 2008
  2. Article first published online: 9 DEC 2008
  3. Manuscript Received: 21 AUG 2008

Funded by

  • National Natural Science Foundation of China. Grant Numbers: 20521101, 20773130, 20733003
  • “Key Project from Fujian Institute of Research on the Structure of Matter”. Grant Number: SZD08002
  • “Key Project from Chinese Academy of Sciences”. Grant Number: KJCX2-YW-H01

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Keywords:

  • Transition metals;
  • Rare earth metal compounds;
  • Cobalt;
  • Antimon;
  • Electronic structure;
  • Calculations;
  • Tight-bonding linear muffin-tin orbital method

Abstract

Five new intermetallic ternary cobalt antimonides β-RECoSb3 have been prepared by solid state reactions and characterized by single-crystal X-ray diffraction. The title compounds crystallize in β-RENiSb3-type structure, Pbcm (No.57), Z = 8, with a = 12.985(4)–12.5530(13) Å, b = 6.1603(18)–6.1043(4) Å, c = 12.166(4)–12.0267(12) Å for RE = La, Ce, Pr, Nd, and Sm. Their structures feature the anionic Sb square nets and CoSb6 octahedron layers that are separated by RE3+ cations along the a axis. The structural relationship among parent-type (RECrSb3), α-type (RENiSb3), and β-type (RECoSb3) has been presented. The electronic band structure of β-LaCoSb3 has been calculated with the aid of the tight-bonding linear muffin-tin orbital (TB-LMTO) method and the results suggest that the three types of RETSb3 are metallic in both b and c directions and the electrical conductivities along the a direction are relatively weak. The magnetic calculations indicated that the rare-earth atoms would be the only source for the magnetic properties. Therefore, β-type Co analogues should be magnetically identical to the corresponding Ni members. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)

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