Structures and physical properties of new semiconducting polyselenides Ba2CudeltaAg4-deltaSe5 with unprecedented linear Se(3)4- units.

Structures and physical properties of new semiconducting polyselenides Ba2CudeltaAg4-deltaSe5 with unprecedented linear Se(3)4- units. Research Abstract Details 

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Structures and physical properties of new semiconducting polyselenides Ba2CudeltaAg4-deltaSe5 with unprecedented linear Se(3)4- units. Abstract Text:

Abdeljalil Assoud,Jianxiao Xu,Holger Kleinke,Abdeljalil Assoud,Jianxiao Xu,Holger Kleinke,

The title compounds were prepared from the elements in evacuated silica tubes at 650 degrees C, followed by slow cooling. Ba2Ag4Se5 forms a new structure type, space group C2/m, with a=16.189(2) A, b=4.5528(6) A, c=9.2500(1) A, beta=124.572(3) degrees, and V=561.4(1) A3 (Z=2). A maximum of 44% of the Ag atoms may be replaced with Cu atoms without changing the structure type. The crystal structure is composed of Ag4Se(5)4- layers, interconnected via the Ba2+ cations. The Ag atoms show irregular [3+1] coordination by the Se atoms, and the Ba atoms are located in capped square antiprisms formed by Se atoms. Most intriguing is the unprecedented occurrence of linear Se(3)4- units. According to the formulation (Ba2+)2(Ag+)4Se(3)4-(Se2-)2, this selenide is electron-precise with eight positive charges equalizing the eight negative charges. Electronic structure calculations indicated the presence of a band gap, as was experimentally confirmed: the electrical conductivity measurement revealed a gap of 0.6 eV for Ba2CuAg3Se5.

Structures and physical properties of new semiconducting polyselenides Ba2CudeltaAg4-deltaSe5 with unprecedented linear Se(3)4- units. Publishing Authors By Initials

A Assoud,J Xu,H Kleinke,A Assoud,J Xu,H Kleinke,

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Structures and physical properties of new semiconducting polyselenides Ba2CudeltaAg4-deltaSe5 with unprecedented linear Se(3)4- units. Journal Published:

PUBLICATION TYPE: Journal Article

Journal: Inorganic chemistry

VOLUME: 46

Page Numbers: 9906-11

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ISSN: 0020-1669

DAY: 4

MONTH: 10

YEAR: 2007

Structures and physical properties of new semiconducting polyselenides Ba2CudeltaAg4-deltaSe5 with unprecedented linear Se(3)4- units. Information

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LANGUAGE: eng

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AFFILIATION: Department of Chemistry, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1.

Country: United States

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MEDLINETA: Inorg Chem

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