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2004
Structure
D 2000
51- 011
Crystal and Band Structures, Bonding, and Optical Properties of Solid Compounds of Alkaline Indium(III) Pyrophosphates MInP2O7 (M: Na, K, Rb, Cs). —
Single crystals of the title compounds are prepared by solid state reactions of mixtures
of In2O3, NH4H2PO4, and either M2CO3 (M: Na, Rb, Cs) or KNO3 in a molar ratio of In/
P/M = 1:9:11 (1223—1273 K, 24 h) and characterized by single crystal XRD, and absorption and emission spectroscopy. The compounds crystallize in the monoclinic
space group P21/c with Z = 4 and possess three-dimensional [InP2 O-7] anionic frameworks with channels occupied by the M+ cations. The frameworks are built up by corner
sharing of InO6 octahedra and PO4 tetrahedra. DFT band structure calculations show
that the solid compounds are insulators with direct band gaps. — (ZHANG, Y.;
CHENG*, W.; WU, D.; ZHANG, H.; CHEN, D.; GONG, Y.; KAN, Z.; Chem. Mater.
16 (2004) 21, 4150-4159; Fujian Inst. Res. Struct. Matter, Chin. Acad. Sci., Fuzhou
350002, Fujian, Peop. Rep. China; Eng.) — W. Pewestorf
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