Investigation on pseudosymmetry, twinning and disorder in crystal structure determinations: Ba(H2O)M-2(III) PO3(OH) (4) (M=Fe, V) as examples

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	Investigation on pseudosymmetry, twinning and disorder in crystal structure determinations: Ba(H2O)M-2(III) PO3(OH) (4) (M=Fe, V) as examples
	Sun, W. ; Huang, Y. X. ; Pan, Y. M. ; Mi, J. X. ; Mi JX(宓锦校)
刊名	http://dx.doi.org/10.1016/j.jssc.2011.12.043
	2012-03
关键词	HYDROTHERMAL SYNTHESIS SPACE-GROUPS CALCITE PYROPHOSPHATE REFINEMENT DOLOMITE SYMMETRY CC
英文摘要	National Natural Science Foundation of China [40972035]; Natural Science Foundation of Fujian Province at the Scientific and Technological Innovation Platform of Fujian Province [2010J01308]; Natural Science and Engineering Research Council of Canada; Twinning commonly occurs in monoclinic crystals with dimensionally similar a and c axes and results in pseudo-orthorhombic symmetries with overlapping diffractions. For example, twinning in the new synthetic compound Ba(H2O)Fe-2[PO3(OH)](4), which varies in space group from P2(1) to P2(1)/c with approximately equal a and c axial lengths, gives rise to a pseudosymmetry of C222(1). Similarly, the related compound Ba(H2O)V-2[PO3(OH)](4) is commonly twinned and varies in space groups as well, arising from ordered to disordered distributions of the barium cations and water molecules in the cavities. Moreover, analyses of these and other twinned structures show that the small average standard uncertainty of bond distances is a sensitive criterion for structure determinations, especially for those involving crystal twinning as well as order-disorder. A proper structure determination leads to small standard uncertainties of the atomic displacement parameters, which further result in the small standard uncertainties of bond distances. (C) 2012 Elsevier Inc. All rights reserved.
语种	英语
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/59319]
专题	材料学院－已发表论文
推荐引用方式 GB/T 7714	Sun, W.,Huang, Y. X.,Pan, Y. M.,et al. Investigation on pseudosymmetry, twinning and disorder in crystal structure determinations: Ba(H2O)M-2(III) PO3(OH) (4) (M=Fe, V) as examples[J]. http://dx.doi.org/10.1016/j.jssc.2011.12.043,2012.
APA	Sun, W.,Huang, Y. X.,Pan, Y. M.,Mi, J. X.,&宓锦校.(2012).Investigation on pseudosymmetry, twinning and disorder in crystal structure determinations: Ba(H2O)M-2(III) PO3(OH) (4) (M=Fe, V) as examples.http://dx.doi.org/10.1016/j.jssc.2011.12.043.
MLA	Sun, W.,et al."Investigation on pseudosymmetry, twinning and disorder in crystal structure determinations: Ba(H2O)M-2(III) PO3(OH) (4) (M=Fe, V) as examples".http://dx.doi.org/10.1016/j.jssc.2011.12.043 (2012).