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Author:

Chen, Xuean (Chen, Xuean.) | Chu, Zhipeng (Chu, Zhipeng.) | Chang, Xinan (Chang, Xinan.) | Zang, Hegui (Zang, Hegui.) | Xiao, Weiqiang (Xiao, Weiqiang.)

Indexed by:

EI Scopus SCIE

Abstract:

A new barium aluminoborate, Ba-8[(Al-6(IV))(Al-2(IV))(Al-2(V))(B12O41)-O-III](infinity), has been prepared by solid state reaction method below 770 degrees C, with adding Bi2O3 as a flux. Single-crystal XRD analysis showed that it crystallizes in the triclinic space group P (1) over bar with a = 9.2437(11) angstrom, b = 9.8100(12) angstrom, c = 11.0830(14) angstrom, alpha = 76.130(10)degrees, beta = 73.550(9)degrees, gamma = 77.990(10)degrees, Z = 1. The crystal structure contains Latin capital H letter shaped Al6O1920- groups built up from six corner-sharing AlO4 tetrahedra. The Al6O1920- groups, AlO4 tetrahedra, AlO5 trigonal bipyramids, and BO3 triangles are linked to form a two-dimensional [(Al-6(IV))(Al-2(IV))(Al-2(V))(B12O41)-O-III](16-) layer by sharing O vertices. The layers are stacked along the c-axis, with the interlayer void spaces and intralayer open channels occupied by Ba2+ cations to balance charge. The IR spectrum further confirmed the presence of BO3 groups. UV-Vis diffuse reflectance spectrum showed a band gap of about 3.10 eV. Solid-state fluorescence spectrum exhibited a broad emission band at around 430 nm. Band structure calculations indicated that it is a direct band material with the calculated band gap (3.25 eV) close to the observed one. (C) 2011 Elsevier B. V. All rights reserved.

Keyword:

Band structure Borate Ba8Al10B12O41 Crystal structure

Author Community:

  • [ 1 ] [Chen, Xuean]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 2 ] [Chu, Zhipeng]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 3 ] [Chang, Xinan]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 4 ] [Zang, Hegui]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 5 ] [Xiao, Weiqiang]Beijing Univ Technol, Inst Microstruct & Property Adv Mat, Beijing 100124, Peoples R China

Reprint Author's Address:

  • [Chen, Xuean]Beijing Univ Technol, Coll Mat Sci & Engn, Ping Le Yuan 100, Beijing 100124, Peoples R China

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Source :

JOURNAL OF ALLOYS AND COMPOUNDS

ISSN: 0925-8388

Year: 2012

Issue: 1

Volume: 511

Page: 74-80

6 . 2 0 0

JCR@2022

ESI Discipline: MATERIALS SCIENCE;

JCR Journal Grade:1

CAS Journal Grade:1

Cited Count:

WoS CC Cited Count: 13

SCOPUS Cited Count: 13

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 8

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