Abstract
The mixed-metal thio-phosphate, Nb1.18V0.82PS10 (niobium vanadium phospho-rus deca-sulfide), has been prepared though solid state reactions using an alkali-metal halide flux. The title compound is isostructural with two-dimensional Nb2PS10. [M 2S12] (M = Nb or V) dimers built up from two bicapped trigonal prisms and tetra-hedral [PS4] units share sulfur atoms to construct (1) ∞[M 2PS10] chains along the a axis. These chains are linked through the di-sulfide bonds between [PS4] units in adjacent chains to form layers parallel to the ab plane. These layers then stack on top of each other to complete the three-dimensional structure with van der Waals gaps. The M sites are occupied by 59% of Nb and 41% of V and the average M-S and M-M distances in the title compound are in between those of V2PS10 and Nb2PS10. The classical charge balance of the title compound can be represented by [(Nb/V)(4+)]2[P(5+)][S(2-)]3[S(-)]7.
Highlights
The mixed-metal thiophosphate, Nb1.18V0.82PS10, has been prepared though solid state reactions using an alkalimetal halide flux
The title compound is isostructural with two-dimensional
These chains are linked through the disulfide bonds between [PS4] units in adjacent chains to form layers parallel to the ab plane. These layers stack on top of each other to complete the three-dimensional structure with van der Waals gaps
Summary
Ternary group 5 metal thiophosphates, M2PS10 (M = V, Nb) have been reported to have low-dimensional structures with partially filled d orbitals which can accommodate electrons. They are of potential importance as cathode materials for high-energy density lithium batteries (Rouxel, 1986). While both are composed of the same linear chains, i.e. 11[M2PS10], V2PS10 has a chain structure (Brec et al., 1983a) and Nb2PS10 adopts a layered structure (Brec et al., 1983b). View of the M2PS10 layers showing the two-dimensional nature of the compound. The synthesis and structural characterization of a mixedmetallic thiophosphate, namely Nb1.18V0.82PS10
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