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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}
}
  • Two new quaternary strontium selenium(IV) and tellurium(IV) oxychlorides, namely, Sr{sub 3}(SeO{sub 3})(Se{sub 2}O{sub 5})Cl{sub 2} and Sr{sub 4}(Te{sub 3}O{sub 8})Cl{sub 4}, have been prepared by solid-state reaction. Sr{sub 3}(SeO{sub 3})(Se{sub 2}O{sub 5})Cl{sub 2} features a three-dimensional (3D) network structure constructed from strontium(II) interconnected by Cl{sup -}, SeO{sub 3}{sup 2-} as well as Se{sub 2}O{sub 5}{sup 2-} anions. The structure of Sr{sub 4}(Te{sub 3}O{sub 8})Cl{sub 4} features a 3D network in which the strontium tellurium oxide slabs are interconnected by bridging Cl{sup -} anions. The diffuse reflectance spectrum measurements and results of the electronic band structure calculations indicate that both compoundsmore » are wide band-gap semiconductors. - Graphical abstract: Solid-state reactions of SrO, SrCl{sub 2}, and SeO{sub 2} or TeO{sub 2} in different molar ratios and under different temperatures lead to two new strontium selenium(IV) or tellurium(IV) oxychlorides with two different types of structures, namely, Sr{sub 3}(SeO{sub 3})(Se{sub 2}O{sub 5})Cl{sub 2} and Sr{sub 4}(Te{sub 3}O{sub 8})Cl{sub 4}. Both compounds are wide band-gap semiconductors based on the diffuse reflectance spectra and the electronic band structures.« less
  • Two new vanadium tellurites, VTeO{sub 4}(OH) (1) and Ba{sub 2}V{sub 4}O{sub 8}(Te{sub 3}O{sub 10}) (2), have been synthesized successfully with the use of hydrothermal reactions. The crystal structures of the two compounds were determined by single-crystal X-ray diffraction. Compound 1 crystallizes in the polar space group Pca2{sub 1} (No. 29) while compound 2 crystallizes in the centrosymmetric space group C2/c (No. 15). The topography of compound 1 reveals a two-dimensional, layered structure comprised of VO{sub 6} octahedral chains and TeO{sub 3}(OH) zig-zag chains. Compound 2, on the contrary, features a three-dimensional [V{sub 4}O{sub 8}(Te{sub 3}O{sub 10})]{sup 4-} anionic framework withmore » Ba{sup 2+} ions filled into the 10-member ring helical tunnels. The [V{sub 4}O{sub 8}(Te{sub 3}O{sub 10})]{sup 4-} anionic network is the first 3D vanadium tellurite framework to be discovered in the alkaline-earth vanadium tellurite system. Powder second harmonic generation (SHG) measurements indicate that compound 1 shows a weak SHG response of about 0.3×KDP (KH{sub 2}PO{sub 4}) under 1064 nm laser radiation. Infrared spectroscopy, elemental analysis, thermal analysis, and dipole moment calculations have also been carried out. - Graphical abstract: VTeO{sub 4}(OH) (1) crystallizes in the noncentrosymmetric space group Pca2{sub 1} (No. 29) while Ba{sub 2}V{sub 4}O{sub 8}(Te{sub 3}O{sub 10}) (2) crystallizes in the centrosymmetric space group C2/c (No. 15). - Highlights: • VTeO{sub 4}(OH) (1) and Ba{sub 2}V{sub 4}O{sub 8}(Te{sub 3}O{sub 10}) (2) have been synthesized successfully with the use of hydrothermal reactions. • VTeO{sub 4}(OH) (1) crystallizes in the noncentrosymmetric space group Pca2{sub 1} and displays a weak SHG response. • VTeO{sub 4}(OH) (1) represents only the fourth SHG-active material found in vanadium tellurite systems. • Ba{sub 2}V{sub 4}O{sub 8}(Te{sub 3}O{sub 10}) (2) exhibits a novel three-dimensional [V{sub 4}O{sub 8}(Te{sub 3}O{sub 10})]{sup 4-} anionic framework.« less
  • Three new oxides Sm[sub 2]SrCo[sub 2]O[sub 7], Sm[sub 2]BaCo[sub 2]O[sub 7] and Gd[sub 2]SrCo[sub 2]O[sub 7] have been successfully synthesized by a solid state reaction method. The x-ray diffraction spectra show that they are all isostructural with Sr[sub 8]Ti[sub 2]O[sub 7]. Ln[sub 2]SrCo[sub 2]O[sub 7] (Ln = Sm, Gd) crystallized in the tetragonal system, Sm[sub 2]BaCo[sub 2]O[sub 7] in the orthorhombic system. The Co-O bonds in CoO[sub 2] planes of Ln[sub 2]SrCo[sub 2]O[sub 7] are shorter than those of LnSrCoO[sub 4] (Ln = Sm, Gd), thus their d electrons are more delocalized and their electrical resistivities are smaller. The electricalmore » resistivities versus temperature in the range 300--1100K showed that the five oxides represent weakly localized systems. In the lower temperature range, the magnetic behavior of Gd[sub 2]SrCo[sub 2]O[sub 7] and GdSrCoO[sub 4] fits the Curie-Weiss law well. The magnetic exchange reactions in the CoO sublattice of Gd[sub 2]SrCo[sub 2]O[sub 7] is ferromagnetic, but in GdSrCoO[sub 4] is antiferromagnetic. The other three oxides with Sm[sup +3] showed complex magnetic behavior which is perhaps related to the complexity of Sm[sup +3].« less
  • Y{sub 2}Te{sub 4}O{sub 11}:Eu{sup 3+} and Y{sub 2}Te{sub 5}O{sub 13}:Eu{sup 3+} single crystals in sub-millimeter scale were synthesized from the binary oxides (Y{sub 2}O{sub 3}, Eu{sub 2}O{sub 3} and TeO{sub 2}) using CsCl as fluxing agent. Crystallographic structures of the undoped yttrium oxotellurates(IV) Y{sub 2}Te{sub 4}O{sub 11} and Y{sub 2}Te{sub 5}O{sub 13} have been determined and refined from single-crystal X-ray diffraction data. In Y{sub 2}Te{sub 4}O{sub 11}, a layered structure is present where the reticulated sheets consisting of edge-sharing [YO{sub 8}]{sup 13-} polyhedra are interconnected by the oxotellurate(IV) units, whereas in Y{sub 2}Te{sub 5}O{sub 13} only double chains of condensedmore » yttrium-oxygen polyhedra with coordination numbers of 7 and 8 are left, now linked in two crystallographic directions by the oxotellurate(IV) entities. The Eu{sup 3+} luminescence spectra and the decay time from different energy levels of the doped compounds were investigated and all detected emission levels were identified. Luminescence properties of the Eu{sup 3+} cations have been interpreted in consideration of the now accessible detailed crystallographic data of the yttrium compounds, providing the possibility to examine the influence of the local symmetry of the oxygen coordination spheres. - Graphical abstract: The unique rare-earth metal(III) site in Y{sub 2}Te{sub 4}O{sub 11} coordinated by eight oxygen atoms in the shape of a distorted trigonal dodecahedron where also the Eu{sup 3+} cations of the doped compound reside.« less
  • The interest in the formation and chemistry of main group alkoxides and aryloxides has undergone a renaissance over the last few years. There are many reasons for this surge of interest in such compounds, many of which until recently were poorly characterized or not known at all. One such stimulus is the discovery of superconducting ceramics containing alkaline earth ions. The reaction of barium metal granules with phenol and hexamethylphosphoramide (HMPA) in toluene at 25[degrees]C yields a novel eight-metal atom aggregate. The reaction of Sr[sub 3](OPh)[sub 6](HMPA)[sub 5] with barium metal and phenol yields a structurally related species. The twomore » aggregates have been characterized by IR and [sup 1]H, [sup 13]C, and [sup 31]P[l brace][sup 1]H[r brace] NMR spectroscopy and single-crystal X-ray studies and shown to consist to two square-based pyramidal M[sub 5]([mu][sub 5]-O) fragments sharing a common basal edge. The structure is completed by [mu][sub 3]- and [mu][sub 2]-phenoxide and terminal HMPA ligands. The selectivity for barium in the two polyhedral sites where the square-based pyramids are joined originates in the higher coordination number there. 20 refs., 2 figs., 3 tabs.« less