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LanthanoidsI 2800 DOI: 10.1002/chin.201041018

Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap Semicon-ducting Antimonide Oxides Ln3SbO3 and Ln8Sb3-δO8 with Ln: La, Sm, Gd, and Ho. — The title compounds are prepared from mixtures of LnSb (Ln: La, Sm, Gd, Ho) and Ln2O3 in a 1:1 molar ratio for Ln3SbO3, and LnSb, Ln2O3, and Sb in a 8:8:1 ratio for Ln8Sb3O8 (Ta tubes, 1300—1600 °C, 2—6 h). The compounds are characterized by single crystal XRD, SEM, electrical resistivity measurements, and TB-LMTO-ASA electronic structure calculations. They crystallize in the monoclinic space group C2/m with Z = 4 (Ho3SbO3) and Z = 2 (Ho8Sb3O8) and feature similar LnO frameworks com-posed of Ln4O tetrahedral units. In both structures, the Sb atoms occupy the empty channels within the LnO sublattice. Both the LnSbO3 and Ln8Sb3-δO8 (Ln: Sm, Ho) phases show a narrow-band-gap semiconductor-type electrical behavior but are not rea-sonably conductive, which is a requirement for thermoelectric materials. — (WANG, P.; FORBES, S.; KOLODIAZHNYI, T.; KOSUDA, K.; MOZHARIVSKYJ*, Y.; J. Am. Chem. Soc. 132 (2010) 25, 8795-8803, DOI:10.1021/ja1027698 ; Dep. Chem., McMaster Univ., Hamilton, Ont. L8S 4M1, Can.; Eng.) — W. Pewestorf

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