Syntheses and Structures of K3MQ4(M = Nb, Ta; Q = S, Se)

Michel Latroche, James A Ibers

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Abstract

The four tetrachalcogenometalates K3NbS4, K3NbSe4, K3TaS4, and K3TaSe4have been obtained by direct reaction among the elements at 850 °C. The structures of K3NbS4and K3NbSe4have been determined by single-crystal X-ray diffraction methods. K3TaS4and K3TaSe4are isostructural with K3NbS4and K3NbSe4, as determined from X-ray Guinier photographs. All of them crystallize with four formula units in space group D16 2h-Pnma of the orthorhombic system in cells of dimensions a = 9.214 (8), b = 10.484 (6), and c = 9.319 (7) Å for K3NbS4, a = 9.599 (2), b = 11.042 (3), and c = 9.660 (2) Å for K3NbSe4, a = 9.283 (2), b = 10.806 (3), and c = 9.387 (2) Å for K3TaS4,and a = 9.682 (3), b = 11.276 (4), and c = 9.712 (3) Å for K3TaSe4. The final refinements of 43 variables lead to R and Rwvalues of 0.106 and 0.115 for K3NbS4and 0.069 and 0.083 for K3NbSe4. These structures are of the K3VS4type and contain discrete K+and tetrahedral MQ4 3-ions. In K3NbS4the Nb-S distances range from 2.241 (8) to 2.258 (8) Å and the S-Nb-S angles range from 108.3 (2) to 111.6 (3)°. In K3NbSe4the Nb-Se distances range from 2.387 (1) to 2.403 (1) Å and Se-Nb-Se angles range from 108.49 (3) to 111.68 (5)°.

Original languageEnglish (US)
Pages (from-to)1503-1505
Number of pages3
JournalInorganic Chemistry
Volume29
Issue number8
DOIs
StatePublished - Jan 1 1990

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ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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