Minwoong Kim1, Seung-Joo Kim. 1. Department of Chemistry, Division of Energy Systems Research, Ajou University, Suwon 443-749, Republic of Korea.
Abstract
Polycrystalline tris-odium 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 tetra-hedron. Three PO3N tetra-hedra 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 octa-hedron. 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.
Polycrystalline tris-odium 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 tetra-hedron. Three PO3Ntetra-hedra 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 octa-hedron. The Na(+) ions occupy three crystallographically distinct sites. One Na(+) ion is situated in an irregular polyhedralcoordination 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, A
3
B(PO3)3N (A = Na, K; B = Al, Ga, Cr, Mn, Fe) and A
2
B
2(PO3)3N (A = Na; B = Mg, Mn, Fe, Co), see: Conanec et al. (1996 ▶); Feldmann (1987
▶). For studies focused on the ionic conductivity of Na2Mg2(PO3)3N, see: Lee et al. (2012 ▶). For a review of structuralfeatures of metal nitridophosphatecompounds, 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 ▶).
Experimental
Crystal data
n class="Chemical">Na3V(PO3)3N
M
= 370.83Cubic,a = 9.44783 (5) Ån class="Chemical">V = 843.33 (1) Å3
Z = 4Synchrotron radiation, λ = 1.547400 ÅT = 298 KFlat sheet, 20 × 20 mm
R
p = 0.091R
wp = 0.119R
exp = 0.075R
Bragg = 0.056χ2 = 2.51912045 data points288 parametersData collectionpan>: 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.Click here for additionn class="Chemical">al data file.
Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536813012427/wm2731sup1.cifClick here for additionn class="Chemical">al data file.
Rietveld powder data: contains datablock(s) I. DOI: 10.1107/S1600536813012427/wm2731Isup2.rtvAdditional supplementary materials: crystallographic information; 3D view; checkCIF report
Authors: Igor V Zatovsky; Ivan V Ogorodnyk; Vyacheslav N Baumer; Ivan D Zhilyak; Ruslana V Horda; Nataliya Yu Strutynska Journal: Acta Crystallogr E Crystallogr Commun Date: 2021-11-02