Synthesis, crystal structure and optical properties of an indium phosphate K{sub 3}In{sub 3}P{sub 4}O{sub 16}

Journal Article · Wed Apr 15 00:00:00 EDT 2009 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2009.01.010· OSTI ID:21370348

Yang, S -L; Zhang, H; Xie, Z; Zhao, D; Zhang, W -L ^[1]

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1. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)

An alkali-metal indium phosphate crystal, K{sub 3}In{sub 3}P{sub 4}O{sub 16}, has been synthesized by a high-temperature solution reaction and exhibits a new structure in the family of the alkali-metal indium phosphates system. Single-crystal X-ray diffraction analysis shows the structure to be monoclinic with space group P2{sub 1}/n, and the following cell parameters: a=9.7003(18), b=9.8065(18), c=15.855(3) A, beta=90.346(3){sup o}, V=1508.2(5) A{sup 3}, Z=4, R=0.0254. It possesses three-dimensional [In{sub 3}(PO{sub 4}){sub 4}]{sub n}{sup 3-} anionic frameworks with tunnels occupied by K{sup +} cations running along the a-axis. The emission and absorption spectra of the compound have been investigated. Additionally, the calculations of energy band structure, density of states, dielectric constants and refractive indexes have been performed with the density functional theory method. Also, the two-photon absorption spectrum is simulated by two-band model. The obtained results tend to support the experimental data. - A new indium phosphate crystal, K{sub 3}In{sub 3}P{sub 4}O{sub 16}, was synthesized by a high-temperature solid-state reaction with space group P2{sub 1}/n. It possesses three-dimensional [In{sub 3}(PO{sub 4}){sub 4}]{sub n}{sup 3-} anionic frameworks built by InO{sub 6} octahedra, InO{sub 7} decahedra and PO{sub 4} tetrahedra, and with tunnels occupied by K1 and K2 running along the a-axis, while K3 cations are located in cavities of the structure.

• OSTI ID: 21370348
• Journal Information: Journal of Solid State Chemistry, Vol. 182, Issue 4; Other Information: DOI: 10.1016/j.jssc.2009.01.010; PII: S0022-4596(09)00018-8; Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ABSORPTION SPECTRA
CATIONS
DENSITY FUNCTIONAL METHOD
INDIUM PHOSPHATES
MONOCLINIC LATTICES
MONOCRYSTALS
PERMITTIVITY
POTASSIUM COMPOUNDS
REFRACTIVE INDEX
SPACE GROUPS
SYNTHESIS
X-RAY DIFFRACTION
ALKALI METAL COMPOUNDS
CALCULATION METHODS
CHARGED PARTICLES
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CRYSTALS
DIELECTRIC PROPERTIES
DIFFRACTION
ELECTRICAL PROPERTIES
INDIUM COMPOUNDS
IONS
OPTICAL PROPERTIES
OXYGEN COMPOUNDS
PHOSPHATES
PHOSPHORUS COMPOUNDS
PHYSICAL PROPERTIES
SCATTERING
SPECTRA
SYMMETRY GROUPS
VARIATIONAL METHODS