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dc.contributor.authorKnowles, Kevinen
dc.contributor.authorSil, Anjanen
dc.contributor.authorStöger, Bertholden
dc.contributor.authorWeil, Matthiasen
dc.date.accessioned2018-11-22T00:32:18Z
dc.date.available2018-11-22T00:32:18Z
dc.date.issued2018-10en
dc.identifier.issn2053-2296
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/285655
dc.description.abstractThe determination of the crystal structure of the M phase, (MnxZn1–x)2V2O7 (0.75 < x < 0.913), in the pseudobinary Mn2V2O7–Zn2V2O7 system for x ≈ 0.8 shows that the previously published triclinic cell parameters for this thortveitite related phase do not describe a true lattice for this phase. Instead, single-crystal X-ray data and Rietveld refinement of synchrotron X-ray powder data show that the M phase has a different triclinic structure in space group P-1 with Z = 2. As prior work has suggested, the crystal structure can be described as a distorted version of the thortveitite crystal structure of β-Mn2V2O7. A two-fold superstructure in diffraction patterns of crystals of M phase used for single crystal X-ray diffraction work arises from twinning by reticular pseudo-merohedry. This superstructure can be described as a commensurate modulation of a pseudo-monoclinic basis structure closely related to the crystal structure of β-Mn2V2O7. In comparison with the distortions introduced when β-Mn2V2O7 transforms at low temperature to α-Mn2V2O7, the distortions which give rise to the M phase from the β-Mn2V2O7 prototype are noticeably less pronounced.
dc.description.sponsorshipFunding for this research was provided by: Royal Society (joint international exchange programme award to Anjan Sil); British Council, New Delhi (UKIERI project No. SA07-0052 to Kevin Knowles, Anjan Sil).
dc.format.mediumPrint-Electronicen
dc.languageengen
dc.publisherWiley-Blackwell
dc.titleCrystal structure of the thortveitite-related M phase, (Mn<sub>x</sub>Zn<sub>1-x</sub>)<sub>2</sub>V<sub>2</sub>O<sub>7</sub> (0.75 < x < 0.913): a combined synchrotron powder and single-crystal X-ray study.en
dc.typeArticle
prism.endingPage1087
prism.issueIdentifierPt 10en
prism.publicationDate2018en
prism.publicationNameActa crystallographica. Section C, Structural chemistryen
prism.startingPage1079
prism.volume74en
dc.identifier.doi10.17863/CAM.33007
dcterms.dateAccepted2018-07-20en
rioxxterms.versionofrecord10.1107/s2053229618010458en
rioxxterms.licenseref.urihttp://www.rioxx.net/licenses/all-rights-reserveden
rioxxterms.licenseref.startdate2018-10en
dc.contributor.orcidWeil, Matthias [0000-0001-5235-9910]
dc.identifier.eissn2053-2296
rioxxterms.typeJournal Article/Reviewen
pubs.funder-project-idBritish Council in India (IND/CONT/07-08/E/180)
pubs.funder-project-idRoyal Society (unknown)
rioxxterms.freetoread.startdate2019-10-31


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