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 journalArticle

8 Citations (Scopus)

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)(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.

Original languageEnglish
Pages (from-to)1144-1151
Number of pages8
JournalInorganic Chemistry
Volume49
Issue number3
DOIs
Publication statusPublished - Feb 1 2010

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Chalcogens
Indium
indium
Salts
salts
Atoms
atoms
Ions
Selenium
selenium
Sulfur
potassium
Potassium
ions
sulfur
Fluxes
thiophosphoric acid

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry

Cite this

Structural diversity by mixing chalcogen atoms in the chalcophosphate system K/ In/P/Q (Q = S, Se). / Rothenberger, Alexander; Wang, Hsien Hau; Chung, Duckyoung; Kanatzidis, Mercouri G.

In: Inorganic Chemistry, Vol. 49, No. 3, 01.02.2010, p. 1144-1151.

Research output: Contribution to journalArticle

Rothenberger, Alexander ; Wang, Hsien Hau ; Chung, Duckyoung ; Kanatzidis, Mercouri G. / Structural diversity by mixing chalcogen atoms in the chalcophosphate system K/ In/P/Q (Q = S, Se). In: Inorganic Chemistry. 2010 ; Vol. 49, No. 3. pp. 1144-1151.
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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)(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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