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dc.contributor.authorSun, W.zh_CN
dc.contributor.authorHuang, Y. X.zh_CN
dc.contributor.authorPan, Y. M.zh_CN
dc.contributor.authorMi, J. X.zh_CN
dc.contributor.author宓锦校zh_CN
dc.date.accessioned2013-12-12T02:03:23Z
dc.date.available2013-12-12T02:03:23Z
dc.date.issued2012-03zh_CN
dc.identifier.citationJournal of Solid State Chemistry, 2012,18789-96zh_CN
dc.identifier.issn0022-4596zh_CN
dc.identifier.otherWOS:000301011800014zh_CN
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/59319
dc.descriptionNational 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 Canadazh_CN
dc.description.abstractTwinning 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.zh_CN
dc.language.isoen_USzh_CN
dc.source.urihttp://dx.doi.org/10.1016/j.jssc.2011.12.043zh_CN
dc.subjectHYDROTHERMAL SYNTHESISzh_CN
dc.subjectSPACE-GROUPSzh_CN
dc.subjectCALCITEzh_CN
dc.subjectPYROPHOSPHATEzh_CN
dc.subjectREFINEMENTzh_CN
dc.subjectDOLOMITEzh_CN
dc.subjectSYMMETRYzh_CN
dc.subjectCCzh_CN
dc.titleInvestigation on pseudosymmetry, twinning and disorder in crystal structure determinations: Ba(H2O)M-2(III) PO3(OH) (4) (M=Fe, V) as exampleszh_CN
dc.typeArticlezh_CN


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