Synthesis and Characterization of the New Quaternary One-Dimensional Chain Materials K2CuNbSe4 and K3CuNb2Se12

Ying jie Lu, James A Ibers*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

54 Scopus citations


The one-dimensional chain materials K2CuNbSe4 and K3CuNb2Se12 have been synthesized at 800 and 870 °C, respectively, through the use of molten alkali-metal selenides as reactive fluxes. K2CuNbSe4 crystallizes in space group [formula omited]-Fddd of the orthorhombic system with eight formula units in a cell of dimensions a = 5.745 (1), b = 13.444 (1), and c = 23.907 (3) Å. The structure consists of infinite linear chains separated from the K+ ions. These chains, which are along the c axis, consist of edge sharing of alternating NbSe4 and CuSe4 tetrahedra. The structural motif thus represents an elaboration of that in KFeS2. There are no short Se⋯Se interactions and so formal oxidation states of K(I), Cu(I), Nb(V), and Se(-II) are assigned. The compound is a poor conductor, having a resistance greater than 10 MΩ cm at room temperature. K3CuNb2Se12 crystallizes in space group [formula omited]-P21/n of the monoclinic system with four formula units in a cell with dimensions a = 9.510 (6), b = 13.390 (9), and c = 15.334 (10) Å and β = 96.09 (4)°. The structure consists of an infinite Cu/Nb/Se chain separated from K+ cations. The infinite chain can be formulated as [formula omited][CuNb2(Se)2(Se2)3(Se4)3-] or alternatively as [formula omited][CuNb2(Se)3(Se2)3(Se3)3-] depending upon the choice of a cutoff for the length of an Se-Se bond. In the former instance the chain contains Cu(I) and Nb(IV) centers while in the latter instance it contains Cu(I) and Nb(V) centers. The two crystallographically distinct Nb atoms are seven-coordinate and the Cu atom is tetrahedral.

Original languageEnglish (US)
Pages (from-to)3317-3320
Number of pages4
JournalInorganic Chemistry
Issue number17
StatePublished - Aug 1 1991

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry


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