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Title: A new strontium antimonate{sup III} Sr{sub 5}Sb{sub 22}O{sub 38}: Synthesis, crystal structure and characterizations

A new strontium antimonate{sup III}, Sr{sub 5}Sb{sub 22}O{sub 38}, has been hydrothermally synthesized and structurally characterized by single crystal X-ray diffraction. It crystallizes in the P2{sub 1}/n space group of the monoclinic system with a=11.739(9) Å, b=12.014(10) Å, c=16.412(13) Å, β=91.460(8)°, V=2314.0(3) Å{sup 3}. The crystal structure is built of seven trigonal–pyramidal SbO{sub 3} and four sphenoid SbO{sub 4} polyhedra which are connected through sharing corner-oxygen atoms to form the complex three-dimensional {sub ∞}{sup 3}[Sb{sub 22}O{sub 38}]{sup 10−} anionic network with two different intersectant tunnels along the [111-bar ] and [11-bar 1-bar ] directions accommodating the electric charge balanced Sr{sup 2+} cations. First-principles electronic structure calculations based on the density functional theory (DFT) and the UV–vis diffuse reflectance spectroscopy measurements both indicate that the compound belongs to a direct band insulator with an optical gap value of 3.3 eV. - Graphical abstract: The 2D Sb–O slabs are stacked through sharing oxygen atoms to form the 3D network structure of the new strontium antimonate{sup III} Sr{sub 5}Sb{sub 22}O{sub 38}. - Highlights: • A new strontium antimonate{sup III}, Sr{sub 5}Sb{sub 22}O{sub 38}, has been hydrothermally synthesized. • The single crystal structure was determined by X-ray diffraction. • The powder XRD and UV–vismore » absorption spectroscopy were studied. • Theoretical studies interpret the relationships between optical absorption and crystal structure.« less
Authors:
 [1] ;  [2] ;  [3] ;  [3]
  1. Department of Physics and Electronic Information, Huaibei Normal University, Huaibei, Anhui 235000 (China)
  2. Department of Chemistry and Materials, Yulin Normal University, Yulin, Guangxi 537000 (China)
  3. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)
Publication Date:
OSTI Identifier:
22309019
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 203; Other Information: Copyright (c) 2013 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; ABSORPTION; ABSORPTION SPECTROSCOPY; ANTIMONATES; ATOMS; CATIONS; DENSITY FUNCTIONAL METHOD; ELECTRIC CHARGES; ELECTRONIC STRUCTURE; HYDROTHERMAL SYNTHESIS; MONOCLINIC LATTICES; MONOCRYSTALS; OXYGEN; SPACE GROUPS; STRONTIUM; STRONTIUM IONS; X-RAY DIFFRACTION