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  Differences and Similarities between the Isotypic Antimonides MFe1-xSb, ScCo1-xSb, and MNiSb (M=Zr, Hf)

Kleinke, H., & Felser, C. (1999). Differences and Similarities between the Isotypic Antimonides MFe1-xSb, ScCo1-xSb, and MNiSb (M=Zr, Hf). Journal of Solid State Chemistry, 144(2), 330-338. doi:10.1006/jssc.1999.8157.

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Kleinke, Holger1, Author
Felser, Claudia2, Author              
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1external, ou_persistent22              
2External Organizations, ou_persistent22              

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 Abstract: The new antimonides MFe1-xSb can be synthesized by arc-melting of M, Fe, and MSb2 (M = Zr, Hf), All title compounds crystallize in the TiNiSi structure type (space group Pnma, Z = 4). The lattice parameters of the new phases MFe1-xSb, as obtained from the bulk samples of the nominal compositions MFeSb, are (a = 681.4(1) pm, b = 417.87(7) pm, c = 740.3(1) pm for ZrFe1-xSb and a = 674.0(1) pm, b = 412.0(2) pm, c = 729.7(2) pm for HfFe1-xSb. Under the reaction conditions used, the occupancy factors of the iron position content of ZrFe1-xSb does not exceed 68(1)% (i.e. x = 0.32(1)), Extended Huckel calculations, performed on the hypothetical model structures "ZrFeSb" and "ZrFe0.75Sb", point to the phase ZrFe1-xSb being metallic, independent of the x value, The band structure of "ZrFeSb", obtained with ab initio LMTO calculations, reveals a three-dimensional metallic conductivity and a nonmagnetic ground state. (C) 1999 Academic Press.

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 Dates: 1999-05-01
 Publication Status: Published in print
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 Identifiers: ISI: 000080181300014
DOI: 10.1006/jssc.1999.8157
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Title: Journal of Solid State Chemistry
Source Genre: Journal
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Publ. Info: Orlando, Fla. : Academic Press
Pages: - Volume / Issue: 144 (2) Sequence Number: - Start / End Page: 330 - 338 Identifier: ISSN: 0022-4596
CoNE: https://pure.mpg.de/cone/journals/resource/954922646045