Synthesis, Crystal and Electronic Structure of La2SiP4

Akopov, Georgiy; Viswanathan, Gayatri; Kovnir, Kirill

doi:10.1002/zaac.202000378

Synthesis, Crystal and Electronic Structure of La₂SiP₄

Journal Article · Thu Dec 17 04:00:00 EST 2020 · Zeitschrift fuer Anorganische und Allgemeine Chemie

DOI:https://doi.org/10.1002/zaac.202000378· OSTI ID:1764375

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Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)

La₂SiP₄(mP-28, Z=4, Wyckoff sequence e⁷, space group P2₁/c (No. 14), a=10.8230(6) Å, b=7.5208(4) Å, c=7.9189(4) Å, and β=105.389(2)°) which crystallizes in the La₂CuS₄ structure type is reported here. Instead of isolated CuS₃ triangles bridged by disulfide anions, in the crystal structure of La₂SiP₄, one-dimensional zig-zag chains composed of SiP₄ tetrahedra connected by P–P bonds are present. Lanthanum cations fill the voids between the chains and are coordinated by either 9P or 8P+Si atoms. La2SiP4 is a narrow bandgap semiconductor with calculated and measured optical bandgaps of 0.35 eV and 0.85(1) eV, respectively.

View Accepted Manuscript (DOE)

Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1764375

Alternate ID(s):: OSTI ID: 22982330

Report Number(s):: IS--J-10,387

Journal Information:: Zeitschrift fuer Anorganische und Allgemeine Chemie, Journal Name: Zeitschrift fuer Anorganische und Allgemeine Chemie Journal Issue: 2-3 Vol. 647; ISSN 0044-2313

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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