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摘要:
A new sodium cesium strontium borate, Na2Cs2Sr(B9O15)(2), has been synthesized and its crystal structure determined by single-crystal XRD methods. The compound crystallizes in the space group P2(1)/c (No. 14) with the following cell parameters: a = 8.4670(17) angstrom, b = 8.5220(17) angstrom, c = 17.206(3) angstrom, beta = 92.60(3)degrees, V = 1240.2(4) angstrom(3), Z = 2. It represents a new structure type in which three [B3O7](5-) triborate groups are bridged by two common oxygen atoms to form a [B9O19](11-) group that is further condensed into a 3D (3)(infinity)[B9O15](3-) network, with the shorthand notation 9:infinity(3)[3 x (3:2 Delta + T)], where D and T represent BO3 triangles and BO4 tetrahedra, respectively. The 3D borate anionic network also affords intersecting open channels as well as pockets that accommodate Cs+, Sr2+, and Na+ cations. IR spectrum further confirms that this compound contains low symmetric BO3 and BO4 groups. UV-VIS diffuse reflectance spectrum shows a high degree of transparency under the visible light and a band gap of about 3.26 eV. Solid-state fluorescence spectrum demonstrates a broad emission band at around 494.8 nm. Band structure calculations by the density functional theory method indicate that it is an indirect band-gap insulator. (C) 2014 Elsevier B.V. All rights reserved.
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JOURNAL OF ALLOYS AND COMPOUNDS
ISSN: 0925-8388
年份: 2015
卷: 623
页码: 157-163
6 . 2 0 0
JCR@2022
ESI学科: MATERIALS SCIENCE;
ESI高被引阀值:319
JCR分区:1
中科院分区:1