Two new barium indium phosphates with intersecting tunnel structures: BaIn{sub 2}P{sub 4}O{sub 14}, and Ba{sub 3}In{sub 2}P{sub 4}O{sub 16}
- State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China)
Two new barium indium phosphates BaIn{sub 2}P{sub 4}O{sub 14} and Ba{sub 3}In{sub 2}P{sub 4}O{sub 16} were synthesized by high temperature solution growth method and structurally characterized by single crystal X-ray diffraction analysis. They represent first compounds in the Ba-In-P-O systems. BaIn{sub 2}P{sub 4}O{sub 14} and Ba{sub 3}In{sub 2}P{sub 4}O{sub 16} display different types of 3D architectures. The projections of both structures concern about the existence of the intersecting tunnels. In compound BaIn{sub 2}P{sub 4}O{sub 14}, the tunnels are built up of the corner-sharing InO{sub 6} octahedra and P{sub 2}O{sub 7} groups, whereas in compound Ba{sub 3}In{sub 2}P{sub 4}O{sub 16}, they are formed by corner sharing of PO{sub 4} tetrahedra and InO{sub 6} octahedra. The electronic band structure calculations of two compounds have been performed with the density functional theory method. The study of calculations and optical diffuse reflectance experimental results show both compounds are insulators with direct band-gap.
- OSTI ID:
- 22209943
- Journal Information:
- Materials Research Bulletin, Vol. 45, Issue 12; Other Information: Copyright (c) 2010 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0025-5408
- Country of Publication:
- United States
- Language:
- English
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