4.0 Article

The mixed-metal tris(disulfide) thiophosphate, KNb1.77Ta0.23PS10

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INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S1600536814000592

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Funding

  1. Basic Science Research Program through the National Research Foundation of Korea - Ministry of Education, Science and Technology [2011-0011309]
  2. National Research Foundation of Korea [2011-0011309] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)

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The title compound catena-poly[potassium [tri-mu-disulfido-mu tetrathiophosphato-di[niobate(IV)/tantalate(IV)(0.885/ 0.115)]]], has been obtained through the reaction of the elements with KCl. The title compound is isostructural with KNb2PS10, with the Nb sites occupied by statistically disordered Nb (88.5%) and Ta (11.5%) atoms. The structure is composed of anionic infinity(1)[M2PS10](-) chains along [100] (M = Nb/Ta) and K+ ions. This chain is built up from distorted bicapped trigonal prisms [MS8] and [PS4] tetrahedra. There are no interchain bonding interactions, except for electrostatic and van der Waals forces. The S2(2-) and S2- anionic species and the M4+-M4+ pair [M-M = 2.8939 (3) angstrom] are observed. The classical charge balance is represented by [K+][M4+](2)[PS43-][S-2(2-)](3).

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