Crystal structures of alkali-metal indium (III) phosphates of [M{sub 3}In(PO{sub 4}){sub 2}]{sub n} (M=K, n=10; M=Rb, n=2) compounds, and band structures and chemical bond properties of [Rb{sub 3}In(PO{sub 4}){sub 2}]{sub 2} crystal
- Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, State Key Laboratory of Structural Chemistry, Graduate School of the Chinese Academy of Sciences, Fuzhou Fujian 350002 (China)
Ternary indium (III) phosphates with three-dimensional frameworks, [M{sub 3}In(PO{sub 4}){sub 2}]{sub n} (M=K, n=10; M=Rb, n=2), are found and firstly reported in this paper. These compounds have been obtained by high temperature solid-state reactions and their crystal structures have been determined by single crystal X-ray diffraction analysis. The title compounds, which crystallize in monoclinic system, possess the same [In(PO{sub 4}){sub 2}]{sub n}{sup 3n-} anionic frameworks built up from interconnected InO{sub 6} octahedra and PO{sub 4} tetrahedra and have an interesting tunnel structure where M{sup +} cations are located. Optical and bonding properties of [Rb{sub 3}In(PO{sub 4}){sub 2}]{sub 2} are investigated in terms of measured absorption and emission spectra, and calculated band structures and density of states. The crystal band structures obtained by the DFT method show that the solid compound of [Rb{sub 3}In(PO{sub 4}){sub 2}]{sub 2} is an insulator with direct band gap, and the P-O covalent bond characters are larger than the In-O ones in this compound.
- OSTI ID:
- 20784848
- Journal Information:
- Journal of Solid State Chemistry, Vol. 179, Issue 1; Other Information: DOI: 10.1016/j.jssc.2005.09.050; PII: S0022-4596(05)00439-1; Copyright (c) 2005 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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