Ab initio structure determination of SrBi2OB4O9 by powder X-ray/neutron diffraction and NMR spectroscopy

被引：4

作者：

Barbier, J. ^{[1
]}

Davis, L. J. M. ^{[1
]}

Goward, G. R. ^{[1
]}

Cranswick, L. M. D. ^{[2
]}

机构：

[1] McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada

[2] CNR, Canadian Neutron Beam Ctr, Chalk River, ON K0J 1J0, Canada

来源：

POWDER DIFFRACTION | 2009年 / 24卷 / 01期

关键词：

SrBi2B4O10; SrBi2OB4O9; bismuth borate oxide; B4O96- tetraborate anion; powder X-ray diffraction; powder neutron diffraction; ab initio structure determination; B-11; MAS-NMR; CRYSTAL-STRUCTURE; BORATE OXIDE; BABIBO4;

D O I：

10.1154/1.3076082

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

SrBi2OB4O9 is a novel centrosymmetric borate oxide forming in the SrO-Bi2O3-B2O3 system. Its crystal structure has been determined ab initio from high-resolution X-ray and neutron powder diffraction data with the help of B-11 MAS-NMR data. SrBi2OB4O9 crystallizes with a triclillic unit-cell with a=6.9657(1) angstrom, b=9.7976(1) angstrom, c=6.8148(1) angstrom, alpha= 109.1270(8)degrees, beta=101.997](8)degrees, gamma=96.1445(8)degrees, V=416.170) angstrom(3), Z=2, space group P-1. Its structure consists of Bi2O4+ layers alternating along the b axis with SrB4O94- layers containing isolated B4O96- (< 2 Delta >Delta) tetraborate anions. (D 2009 International Centre for Diffraction Data. [DOI: 10.1154/1.3076082]

引用

页码：35 / 40

页数：6

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