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摘要:
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.
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JOURNAL OF ALLOYS AND COMPOUNDS
ISSN: 0925-8388
年份: 2012
期: 1
卷: 511
页码: 74-80
6 . 2 0 0
JCR@2022
ESI学科: MATERIALS SCIENCE;
JCR分区:1
中科院分区:1