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dc.contributor.authorMissen, OP
dc.contributor.authorMills, SJ
dc.contributor.authorWelch, MD
dc.contributor.authorSpratt, J
dc.contributor.authorRumsey, MS
dc.contributor.authorBirch, WD
dc.contributor.authorBrugger, J
dc.date.accessioned2019-07-18T15:10:18Z
dc.date.available2019-07-18T15:10:18Z
dc.date.issued2018-01-09
dc.date.submitted2018-01-22
dc.identifier.citationThe crystal structure of cesbronite, Cu3TeO4(OH)4:a novel sheet tellurate topology. O. P. Missen, S. J. Mills, M. D. Welch, J. Spratt, M. S. Rumsey, W. D. Birch and J. Brugger. Acta Crystallographica Section B, Volume 74, Part 1, February 2018, Pages 24-31. https://doi.org/10.1107/S205252061701647Xen_US
dc.identifier.doi10.1107/S205252061701647X
dc.identifier.urihttp://hdl.handle.net/10141/622548
dc.description.abstractThe crystal structure of cesbronite has been determined using single-crystal X-ray diffraction and supported by electron-microprobe analysis, powder diffraction and Raman spectroscopy. Cesbronite is orthorhombic, space group Cmcm, with a = 2.93172 (16), b = 11.8414 (6), c = 8.6047 (4) Å and V = 298.72 (3) Å3. The chemical formula of cesbronite has been revised to CuII3TeVIO4(OH)4 from CuII5(TeIVO3)2(OH)6·2H2O. This change has been accepted by the Commission on New Minerals, Nomenclature and Classification of the International Mineralogical Association, Proposal 17-C. The previously reported oxidation state of tellurium has been shown to be incorrect; the crystal structure, bond valence studies and charge balance clearly show tellurium to be hexavalent. The crystal structure of cesbronite is formed from corrugated sheets of edge-sharing CuO6 and (Cu0.5Te0.5)O6 octahedra. The structure determined here is an average structure that has underlying ordering of Cu and Te at one of the two metal sites, designated as M, which has an occupancy Cu0.5Te0.5. This averaging probably arises from an absence of correlation between adjacent polyhedral sheets, as there are two different hydrogen-bonding configurations linking sheets that are related by a ½a offset. Randomised stacking of these two configurations results in the superposition of Cu and Te and leads to the Cu0.5Te0.5 occupancy of the M site in the average structure. Bond-valence analysis is used to choose the most probable Cu/Te ordering scheme and also to identify protonation sites (OH). The chosen ordering scheme and its associated OH sites are shown to be consistent with the revised chemical formula.en_US
dc.publisherInternational Union of Crystallographyen_US
dc.rightsclosedAccessen_US
dc.titleThe crystal structure of cesbronite, Cu 3 TeO 4 (OH) 4 : a novel sheet tellurate topologyen_US
dc.typeJournal Articleen_US
dc.identifier.eissn2052-5206
dc.identifier.journalActa Crystallographica Section B Structural Science, Crystal Engineering and Materialsen_US
dc.identifier.volume74en_US
dc.identifier.issue1en_US
dc.identifier.startpage24 - 31en_US
dc.internal.reviewer-noteAttached file won't download, email to John 26.3.18en
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dc.embargoNot knownen_US
elements.import.authorMissen, OPen_US
elements.import.authorMills, SJen_US
elements.import.authorWelch, MDen_US
elements.import.authorSpratt, Jen_US
elements.import.authorRumsey, MSen_US
elements.import.authorBirch, WDen_US
elements.import.authorBrugger, Jen_US
dc.description.nhm© 2018 International Union of Crystallography. This document is the author’s final accepted version of the journal article. You are advised to consult the published version if you wish to cite from it. Further supporting information can be found at the article DOI https://doi.org/10.1107/S205252061701647Xen_US
dc.subject.nhmcesbroniteen_US
dc.subject.nhmcrystal structureen_US
dc.subject.nhmtellurateen_US
dc.subject.nhmxocomecatliteen_US
dc.subject.nhmoxysalten_US
dc.subject.nhmelectron-micro­probe analysisen_US
dc.subject.nhmpowder diffractionen_US
dc.subject.nhmsingle-crystal X-ray diffractionen_US
dc.subject.nhmRaman spectroscopyen_US
refterms.dateFOA2019-07-18T15:10:18Z


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