Oxonitridophosphate Ba6P12N17O9Br3 was synthesized by heating a multicomponent mixture of BaBr2, BaS, phosphoryl triamide and thiophosphoryl triamide in an evacuated and sealed silica-glass ampoule to 750 degrees C. Ba6P12N17O9Br3 was obtained as the main product as a nanocrystalline powder. The crystal structure was determined ab initio on the basis of electron diffraction data acquired from a single needle-shaped nanocrystal by automated diffraction tomography. Ba6P12N17O9Br3 crystallizes in the hexagonal space group P6(3)/m (no. 176) with unit cell parameters alpha = 14.654(19), c = 8.255(9) angstrom and Z = 2. Its structure includes triangular, column-shaped anions of (1)(infinity){(P12N17O9)(9-)}, which are built from vertex-sharing P(O,N)(4) tetrahedra with 3-rings and three-coordinate nitrogen atoms. The 1D anions are separated by Ba2+ and Br- ions, which are arranged in channels parallel to the phosphate anions along [001]. The Ba2+ ions are eight- and nine-coordinated by Br- and O/N atoms, respectively. RI Kolb, Ute/A-2642-2011; Mugnaioli, Enrico/E-6237-2011; Sedlmaier, Stefan/K-6868-2012

Ba6P12N17O9Br3 - A Column-Type Phosphate Structure Solved from Single-Nanocrystal Data Obtained by Automated Electron Diffraction Tomography

Mugnaioli E;
2012-01-01

Abstract

Oxonitridophosphate Ba6P12N17O9Br3 was synthesized by heating a multicomponent mixture of BaBr2, BaS, phosphoryl triamide and thiophosphoryl triamide in an evacuated and sealed silica-glass ampoule to 750 degrees C. Ba6P12N17O9Br3 was obtained as the main product as a nanocrystalline powder. The crystal structure was determined ab initio on the basis of electron diffraction data acquired from a single needle-shaped nanocrystal by automated diffraction tomography. Ba6P12N17O9Br3 crystallizes in the hexagonal space group P6(3)/m (no. 176) with unit cell parameters alpha = 14.654(19), c = 8.255(9) angstrom and Z = 2. Its structure includes triangular, column-shaped anions of (1)(infinity){(P12N17O9)(9-)}, which are built from vertex-sharing P(O,N)(4) tetrahedra with 3-rings and three-coordinate nitrogen atoms. The 1D anions are separated by Ba2+ and Br- ions, which are arranged in channels parallel to the phosphate anions along [001]. The Ba2+ ions are eight- and nine-coordinated by Br- and O/N atoms, respectively. RI Kolb, Ute/A-2642-2011; Mugnaioli, Enrico/E-6237-2011; Sedlmaier, Stefan/K-6868-2012
2012
Mugnaioli, E; Sedlmaier, Sj; Oeckler, O; Kolb, U; Schnick, W
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11568/1131107
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