Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)

Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen

doi:10.3390/cryst5040433

Title: Synthesis, Crystal and Electronic Structures of the Pnictides AE₃TrPn₃ (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)

Journal Article · Thu Sep 24 00:00:00 EDT 2015 · Crystals

DOI:https://doi.org/10.3390/cryst5040433· OSTI ID:1240617

Stoyko, Stanislav ^[1]; Voss, Leonard ^[1]; He, Hua ^[1]; Bobev, Svilen ^[1]

Univ. of Delaware, Newark, DE (United States)

New ternary arsenides AE₃TrAs₃ (AE = Sr, Ba; Tr = Al, Ga) and their phosphide analogs Sr₃GaP₃ and Ba₃AlP₃ have been prepared by reactions of the respective elements at high temperatures. Single-crystal X-ray diffraction studies reveal that Sr₃AlAs₃ and Ba₃AlAs₃ adopt the Ba₃AlSb₃-type structure (Pearson symbol oC56, space group Cmce, Z = 8). This structure is also realized for Sr₃GaP₃ and Ba₃AlP₃. Likewise, the compounds Sr₃GaAs₃ and Ba₃GaAs₃ crystallize with the Ba₃GaSb₃-type structure (Pearson symbol oP56, space group Pnma, Z = 8). Both structures are made up of isolated pairs of edge-shared AlPn₄ and GaPn₄ tetrahedra (Pn = pnictogen, i.e., P or As), separated by the alkaline-earth Sr²⁺ and Ba²⁺ cations. In both cases, there are no homoatomic bonds, hence, regardless of the slightly different atomic arrangements, both structures can be rationalized as valence-precise [AE²⁺]₃[Tr³⁺][Pn^3-]₃, or rather [AE²⁺]₆[Tr₂Pn₆]^12-, i.e., as Zintl phases.

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Research Organization:: Univ. of Delaware, Newark, DE (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0008885

OSTI ID:: 1240617

Journal Information:: Crystals, Vol. 5, Issue 4; ISSN 2073-4352

Publisher:: MDPICopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 13 works

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Structural, elastic, electronic, optical and thermoelectric properties of the Zintl-phase Ae ₃ AlAs ₃ ( Ae = Sr, Ba) Benahmed, A.; Bouhemadou, A.; Alqarni, B. Philosophical Magazine, Vol. 98, Issue 13 https://doi.org/10.1080/14786435.2018.1425013	journal	January 2018

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Title: Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)

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Title: Synthesis, Crystal and Electronic Structures of the Pnictides AE₃TrPn₃ (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)