Received 1 March 2013
Polycrystalline trisodium vanadium(III) nitridotriphosphate, Na3V(PO3)3N, was prepared by thermal nitridation of a mixture of NaPO3 and V2O5. The title compound is isotypic with Na3Al(PO3)3N. In the crystal, the P-atom and the three O-atom sites are on general positions, whereas the Na-, V- and N-atom sites are located on threefold rotation axes. The P atom is coordinated by three O atoms and one N atom in form of a slightly distorted tetrahedron. Three PO3N tetrahedra build up a nitridotriphosphate group, (PO3)3N, by sharing a common N atom. The V atom is coordinated by six O atoms in form of a slightly distorted octahedron. The Na+ ions occupy three crystallographically distinct sites. One Na+ ion is situated in an irregular polyhedral coordination environment composed of six O atoms and one N atom, while the other two Na+ cations are surrounded by six and nine O atoms, respectively.
For structure determination of the isotypic Na3Al(PO3)3N, see: Conanec et al. (1994). For the preparation of various related materials, A3B(PO3)3N (A = Na, K; B = Al, Ga, Cr, Mn, Fe) and A2B2(PO3)3N (A = Na; B = Mg, Mn, Fe, Co), see: Conanec et al. (1996); Feldmann (1987a,b). For studies focused on the ionic conductivity of Na2Mg2(PO3)3N, see: Lee et al. (2012). For a review of structural features of metal nitridophosphate compounds, see: Marchand & Laurent (1991); Marchand et al. (2000). For bond-valence-sum calculations, see: Brese & O'Keeffe (1991). For comparison of bond lengths in related structures, see: Conanec et al. (1994); Jacobs & Nymwegen (1997); Lee et al. (2012); Shannon (1976); Zatovsky (2010).
Data collection: local software at 9B HRPD beamline; cell refinement: DICVOL (Boultif & Louër, 2004); data reduction: local software at 9B HRPD beamline; method used to solve structure: coordinates taken from an isotypic compound; program(s) used to refine structure: FULLPROF (Rodriguez-Carvajal, 2001); molecular graphics: DIAMOND (Brandenburg, 1999); software used to prepare material for publication: FULLPROF.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2731 ).
This work was supported by the National Research Foundation of Korea (grant Nos. 2009-0094046 and 2010-0013089). The authors thank Dr Do-Cheon Ahn for his help in performing the sXRD experiment at the Pohang light source.
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