Syntheses and Characterization of the Mixed-Valent Manganese(II/III) Fluorides Mn2F5and Mn3F8

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dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorBandemehr, Jaschaen_US
dc.contributor.authorZimmerhofer, Fabianen_US
dc.contributor.authorIvlev, Sergei I.en_US
dc.contributor.authorPietzonka, Clemensen_US
dc.contributor.authorEklund, Kimen_US
dc.contributor.authorKarttunen, Antti J.en_US
dc.contributor.authorHuppertz, Huberten_US
dc.contributor.authorKraus, Florianen_US
dc.contributor.departmentDepartment of Chemistry and Materials Scienceen
dc.contributor.groupauthorInorganic Materials Modellingen
dc.contributor.organizationUniversity of Marburgen_US
dc.contributor.organizationUniversity of Innsbrucken_US
dc.date.accessioned2021-11-04T05:05:19Z
dc.date.available2021-11-04T05:05:19Z
dc.date.embargoinfo:eu-repo/date/embargoEnd/2022-08-25en_US
dc.date.issued2021-09-06en_US
dc.descriptionPublisher Copyright: © 2021 American Chemical Society.
dc.description.abstractWe obtained single crystals of the binary mixed-valent fluorides Mn2F5 and Mn3F8 using a high-pressure/high-temperature approach. Mn2F5 crystallizes isotypic to CaCrF5 in the monoclinic space group C2/c (No. 15), with a = 8.7078(8) Å, b = 6.1473(6) Å, c = 7.7817(7) Å, β = 117.41(1)°, V = 369.80(6) Å3, Z = 4, and mC28 at T = 173 K. Mn3F8 crystallizes in the monoclinic space group P21 (No. 4) with a = 5.5253(2) Å, b = 4.8786(2) Å, c = 9.9124(4) Å, β = 92.608(2)°, V = 266.92(2) Å3, Z = 2, and mP22 at T = 183 K and presents a new structure type. Crystal-chemical reasoning, CHARDI calculations, and quantum-chemical calculations allowed for the assignment of the oxidation states of the Mn atoms. In both bulk compounds, MnF2 was present as an impurity, as evidenced by powder X-ray diffraction and IR and Raman spectroscopy.en
dc.description.versionPeer revieweden
dc.format.extent13
dc.format.mimetypeapplication/pdfen_US
dc.identifier.citationBandemehr, J, Zimmerhofer, F, Ivlev, S I, Pietzonka, C, Eklund, K, Karttunen, A J, Huppertz, H & Kraus, F 2021, 'Syntheses and Characterization of the Mixed-Valent Manganese(II/III) Fluorides Mn 2 F 5 and Mn 3 F 8', Inorganic Chemistry, vol. 60, no. 17, pp. 12651-12663. https://doi.org/10.1021/acs.inorgchem.1c01833en
dc.identifier.doi10.1021/acs.inorgchem.1c01833en_US
dc.identifier.issn0020-1669
dc.identifier.issn1520-510X
dc.identifier.otherPURE UUID: 92d5a112-b6a7-450a-9dd2-34526858ea1fen_US
dc.identifier.otherPURE ITEMURL: https://research.aalto.fi/en/publications/92d5a112-b6a7-450a-9dd2-34526858ea1fen_US
dc.identifier.otherPURE FILEURL: https://research.aalto.fi/files/74567100/CHEM_Bandemehr_et_al_Syntheses_and_Characterization_2021_Inorganic_Chemistry.pdf
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/110826
dc.identifier.urnURN:NBN:fi:aalto-202111049999
dc.language.isoenen
dc.publisherAmerican Chemical Society
dc.relation.ispartofseriesInorganic Chemistryen
dc.relation.ispartofseriesVolume 60, issue 17, pp. 12651-12663en
dc.rightsopenAccessen
dc.titleSyntheses and Characterization of the Mixed-Valent Manganese(II/III) Fluorides Mn2F5and Mn3F8en
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
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