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Title: Synthesis, crystal and band structures, and optical properties of a new lanthanide-alkaline earth tellurium(IV) oxide: La{sub 2}Ba(Te{sub 3}O{sub 8})(TeO{sub 3}){sub 2}

Abstract

A new quaternary lanthanide alkaline-earth tellurium(IV) oxide, La{sub 2}Ba(Te{sub 3}O{sub 8})(TeO{sub 3}){sub 2}, has been prepared by the solid-state reaction and structurally characterized. The compound crystallizes in monoclinic space group C2/c with a=19.119(3), b=5.9923(5), c=13.2970(19) A, {beta}=107.646(8){sup o}, V=1451.7(3) A{sup 3} and Z=4. La{sub 2}Ba(Te{sub 3}O{sub 8})(TeO{sub 3}){sub 2} features a 3D network structure in which the cationic [La{sub 2}Ba(TeO{sub 3}){sub 2}]{sup 4+} layers are cross-linked by Te{sub 3}O{sub 8} {sup 4-} anions. Both band structure calculation by the DFT method and optical diffuse reflectance spectrum measurements indicate that La{sub 2}Ba(Te{sub 3}O{sub 8})(TeO{sub 3}){sub 2} is a wide band-gap semiconductor. - Graphical abstract: A new quaternary lanthanide alkaline-earth tellurium(IV) oxide, La{sub 2}Ba(Te{sub 3}O{sub 8})(TeO{sub 3}){sub 2}, has been prepared by the solid-state reaction and structurally characterized. The structure of La{sub 2}Ba(Te{sub 3}O{sub 8})(TeO{sub 3}){sub 2} is 3D network in which the cationic [La{sub 2}Ba(TeO{sub 3}){sub 2}]{sup 4+} layers are cross-linked by Te{sub 3}O{sub 8} {sup 4-} anions. Both band structure calculation by the DFT method and optical diffuse reflectance spectrum measurements indicate that La{sub 2}Ba(Te{sub 3}O{sub 8})(TeO{sub 3}){sub 2} is a wide band-gap semiconductor.

Authors:
 [1];  [2];  [1];  [2];  [3]
  1. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China)
  2. (China)
  3. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China), E-mail: mjg@fjirsm.ac.cn
Publication Date:
OSTI Identifier:
21015834
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 180; Journal Issue: 5; Other Information: DOI: 10.1016/j.jssc.2007.04.002; PII: S0022-4596(07)00140-5; Copyright (c) 2007 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BARIUM COMPOUNDS; CRYSTALS; LANTHANUM COMPOUNDS; LAYERS; MONOCLINIC LATTICES; OPTICAL PROPERTIES; OXIDES; SEMICONDUCTOR MATERIALS; SPACE GROUPS; SPECTRA; SYNTHESIS; TELLURIUM COMPOUNDS

Citation Formats

Jiang Hailong, Graduate School of Chinese Academy of Sciences, Beijing 100039, Kong Fang, Graduate School of Chinese Academy of Sciences, Beijing 100039, and Mao Jianggao. Synthesis, crystal and band structures, and optical properties of a new lanthanide-alkaline earth tellurium(IV) oxide: La{sub 2}Ba(Te{sub 3}O{sub 8})(TeO{sub 3}){sub 2}. United States: N. p., 2007. Web. doi:10.1016/j.jssc.2007.04.002.
Jiang Hailong, Graduate School of Chinese Academy of Sciences, Beijing 100039, Kong Fang, Graduate School of Chinese Academy of Sciences, Beijing 100039, & Mao Jianggao. Synthesis, crystal and band structures, and optical properties of a new lanthanide-alkaline earth tellurium(IV) oxide: La{sub 2}Ba(Te{sub 3}O{sub 8})(TeO{sub 3}){sub 2}. United States. doi:10.1016/j.jssc.2007.04.002.
Jiang Hailong, Graduate School of Chinese Academy of Sciences, Beijing 100039, Kong Fang, Graduate School of Chinese Academy of Sciences, Beijing 100039, and Mao Jianggao. Tue . "Synthesis, crystal and band structures, and optical properties of a new lanthanide-alkaline earth tellurium(IV) oxide: La{sub 2}Ba(Te{sub 3}O{sub 8})(TeO{sub 3}){sub 2}". United States. doi:10.1016/j.jssc.2007.04.002.
@article{osti_21015834,
title = {Synthesis, crystal and band structures, and optical properties of a new lanthanide-alkaline earth tellurium(IV) oxide: La{sub 2}Ba(Te{sub 3}O{sub 8})(TeO{sub 3}){sub 2}},
author = {Jiang Hailong and Graduate School of Chinese Academy of Sciences, Beijing 100039 and Kong Fang and Graduate School of Chinese Academy of Sciences, Beijing 100039 and Mao Jianggao},
abstractNote = {A new quaternary lanthanide alkaline-earth tellurium(IV) oxide, La{sub 2}Ba(Te{sub 3}O{sub 8})(TeO{sub 3}){sub 2}, has been prepared by the solid-state reaction and structurally characterized. The compound crystallizes in monoclinic space group C2/c with a=19.119(3), b=5.9923(5), c=13.2970(19) A, {beta}=107.646(8){sup o}, V=1451.7(3) A{sup 3} and Z=4. La{sub 2}Ba(Te{sub 3}O{sub 8})(TeO{sub 3}){sub 2} features a 3D network structure in which the cationic [La{sub 2}Ba(TeO{sub 3}){sub 2}]{sup 4+} layers are cross-linked by Te{sub 3}O{sub 8} {sup 4-} anions. Both band structure calculation by the DFT method and optical diffuse reflectance spectrum measurements indicate that La{sub 2}Ba(Te{sub 3}O{sub 8})(TeO{sub 3}){sub 2} is a wide band-gap semiconductor. - Graphical abstract: A new quaternary lanthanide alkaline-earth tellurium(IV) oxide, La{sub 2}Ba(Te{sub 3}O{sub 8})(TeO{sub 3}){sub 2}, has been prepared by the solid-state reaction and structurally characterized. The structure of La{sub 2}Ba(Te{sub 3}O{sub 8})(TeO{sub 3}){sub 2} is 3D network in which the cationic [La{sub 2}Ba(TeO{sub 3}){sub 2}]{sup 4+} layers are cross-linked by Te{sub 3}O{sub 8} {sup 4-} anions. Both band structure calculation by the DFT method and optical diffuse reflectance spectrum measurements indicate that La{sub 2}Ba(Te{sub 3}O{sub 8})(TeO{sub 3}){sub 2} is a wide band-gap semiconductor.},
doi = {10.1016/j.jssc.2007.04.002},
journal = {Journal of Solid State Chemistry},
number = 5,
volume = 180,
place = {United States},
year = {Tue May 15 00:00:00 EDT 2007},
month = {Tue May 15 00:00:00 EDT 2007}
}