Structural diversity by mixing chalcogen atoms in the chalcophosphate system K/ In/P/Q (Q = S, Se)

Alexander Rothenberger; Hsien Hau Wang; Duckyoung Chung; Mercouri G. Kanatzidis

doi:10.1021/ic902105j

Structural diversity by mixing chalcogen atoms in the chalcophosphate system K/ In/P/Q (Q = S, Se)

Alexander Rothenberger, Hsien Hau Wang, Duckyoung Chung, Mercouri G. Kanatzidis

Research output: Contribution to journal › Article › peer-review

11 Scopus citations

Abstract

The new thiophosphate salt K₄In₂(PS₄) ₂(P₂S₆) (1), the selenophosphate salts K ₅In3́(μ³-Se)(P₂Se₆) ₃ (2), K₄In₄(μ-Se)_2- (P ₂Se₆)₃ (3), and the mixed seleno-/thiophosphate salt K₄In₄(μ-Se)(P₂S_2.36Se _3.64)₃ (4) are described. For the first time, a structurally different outcome of a chalcophosphate reaction was observed when sulfur and selenium are mixed, for example, by the use of K₂S/P ₂Se₅/S/In instead of K₂Se/P₂Se ₅/Se/In or K₂S/P₂S₅/S/In. In compounds 1-4 indium atoms exist in a variety coordination environments. While in 1, indium is octahedrally coordinated, in 2-4 tetrahedral, trigonalbipyramidal, and octahedral coordination environments are found for indium atoms. This remarkable structural diversity possibly is a reason, why particularly indium chalcophosphate flux reactions often produce a large variety of compounds at intermediate temperatures. In the mixed seleno-/thiophosphate salt K₄In₄(μ-Se)(P₂S_2.36Se _3.64)₃ (4) most of the chalcogen sites around the tetrahedrally coordinated P atoms show mixed S/Se occupancy. There is, however, a preference for Se binding to In ions and S binding to potassium ions.

Original language	English (US)
Pages (from-to)	1144-1151
Number of pages	8
Journal	Inorganic chemistry
Volume	49
Issue number	3
DOIs	https://doi.org/10.1021/ic902105j
State	Published - Feb 1 2010
Externally published	Yes

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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@article{336bd88607b44e8dbd7eedce5f14291c,

title = "Structural diversity by mixing chalcogen atoms in the chalcophosphate system K/ In/P/Q (Q = S, Se)",

abstract = "The new thiophosphate salt K4In2(PS4) 2(P2S6) (1), the selenophosphate salts K 5In{\'3}(μ3-Se)(P2Se6) 3 (2), K4In4(μ-Se)2- (P 2Se6)3 (3), and the mixed seleno-/thiophosphate salt K4In4(μ-Se)(P2S2.36Se 3.64)3 (4) are described. For the first time, a structurally different outcome of a chalcophosphate reaction was observed when sulfur and selenium are mixed, for example, by the use of K2S/P 2Se5/S/In instead of K2Se/P2Se 5/Se/In or K2S/P2S5/S/In. In compounds 1-4 indium atoms exist in a variety coordination environments. While in 1, indium is octahedrally coordinated, in 2-4 tetrahedral, trigonalbipyramidal, and octahedral coordination environments are found for indium atoms. This remarkable structural diversity possibly is a reason, why particularly indium chalcophosphate flux reactions often produce a large variety of compounds at intermediate temperatures. In the mixed seleno-/thiophosphate salt K4In4(μ-Se)(P2S2.36Se 3.64)3 (4) most of the chalcogen sites around the tetrahedrally coordinated P atoms show mixed S/Se occupancy. There is, however, a preference for Se binding to In ions and S binding to potassium ions.",

author = "Alexander Rothenberger and Wang, {Hsien Hau} and Duckyoung Chung and Kanatzidis, {Mercouri G.}",

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AU - Rothenberger, Alexander

AU - Wang, Hsien Hau

AU - Chung, Duckyoung

AU - Kanatzidis, Mercouri G.

PY - 2010/2/1

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N2 - The new thiophosphate salt K4In2(PS4) 2(P2S6) (1), the selenophosphate salts K 5In3́(μ3-Se)(P2Se6) 3 (2), K4In4(μ-Se)2- (P 2Se6)3 (3), and the mixed seleno-/thiophosphate salt K4In4(μ-Se)(P2S2.36Se 3.64)3 (4) are described. For the first time, a structurally different outcome of a chalcophosphate reaction was observed when sulfur and selenium are mixed, for example, by the use of K2S/P 2Se5/S/In instead of K2Se/P2Se 5/Se/In or K2S/P2S5/S/In. In compounds 1-4 indium atoms exist in a variety coordination environments. While in 1, indium is octahedrally coordinated, in 2-4 tetrahedral, trigonalbipyramidal, and octahedral coordination environments are found for indium atoms. This remarkable structural diversity possibly is a reason, why particularly indium chalcophosphate flux reactions often produce a large variety of compounds at intermediate temperatures. In the mixed seleno-/thiophosphate salt K4In4(μ-Se)(P2S2.36Se 3.64)3 (4) most of the chalcogen sites around the tetrahedrally coordinated P atoms show mixed S/Se occupancy. There is, however, a preference for Se binding to In ions and S binding to potassium ions.

AB - The new thiophosphate salt K4In2(PS4) 2(P2S6) (1), the selenophosphate salts K 5In3́(μ3-Se)(P2Se6) 3 (2), K4In4(μ-Se)2- (P 2Se6)3 (3), and the mixed seleno-/thiophosphate salt K4In4(μ-Se)(P2S2.36Se 3.64)3 (4) are described. For the first time, a structurally different outcome of a chalcophosphate reaction was observed when sulfur and selenium are mixed, for example, by the use of K2S/P 2Se5/S/In instead of K2Se/P2Se 5/Se/In or K2S/P2S5/S/In. In compounds 1-4 indium atoms exist in a variety coordination environments. While in 1, indium is octahedrally coordinated, in 2-4 tetrahedral, trigonalbipyramidal, and octahedral coordination environments are found for indium atoms. This remarkable structural diversity possibly is a reason, why particularly indium chalcophosphate flux reactions often produce a large variety of compounds at intermediate temperatures. In the mixed seleno-/thiophosphate salt K4In4(μ-Se)(P2S2.36Se 3.64)3 (4) most of the chalcogen sites around the tetrahedrally coordinated P atoms show mixed S/Se occupancy. There is, however, a preference for Se binding to In ions and S binding to potassium ions.

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Structural diversity by mixing chalcogen atoms in the chalcophosphate system K/ In/P/Q (Q = S, Se)

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