Two new quaternary copper bismuth sulfide halides: CuBi2S3Cl and CuBi2S3Br as candidates for copper ion conductivity

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dc.contributor.authorRemy-Speckmann, Ina
dc.contributor.authorBredow, Thomas
dc.contributor.authorLerch, Martin
dc.date.accessioned2021-10-27T06:36:33Z
dc.date.available2021-10-27T06:36:33Z
dc.date.issued2021-10-14
dc.description.abstractTwo new copper bismuth sulfide halides, CuBi2S3Cl and CuBi2S3Br, were synthesized by a two-step process of ball milling followed by annealing. Both compounds are obtained as dark grey powders and crystallize in the monoclinic space group C2/m with lattice parameters a = 12.9458(11) Å, b = 3.9845(3) Å, c = 9.1024(8) Å and β = 91.150(3)° for the sulfide chloride and a = 13.3498(8) Å, b = 4.1092(2) Å, c = 9.4173(6) Å and β = 90.322(4)° for the sulfide bromide. Also known for related compounds, the copper atoms are strongly disordered. Quantum-chemical calculations suggest that modelling the structure with fixed copper positions does not satisfactorily describe all structural features, which insinuates copper ion mobility at elevated temperatures.en
dc.identifier.eissn2196-7156
dc.identifier.issn0942-9352
dc.identifier.urihttps://depositonce.tu-berlin.de/handle/11303/13762
dc.identifier.urihttp://dx.doi.org/10.14279/depositonce-12538
dc.language.isoen
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/
dc.subject.ddc540 Chemie und zugeordnete Wissenschaftende
dc.subject.otherbismuthen
dc.subject.othercopperen
dc.subject.othermechanochemical synthesisen
dc.subject.otherquantum-chemical calculationsen
dc.subject.otherRietveld refinementen
dc.subject.othersulfide halideen
dc.titleTwo new quaternary copper bismuth sulfide halides: CuBi2S3Cl and CuBi2S3Br as candidates for copper ion conductivityen
dc.typeArticleen
dc.type.versionpublishedVersionen
dcterms.bibliographicCitation.doi10.1515/zpch-2021-3120
dcterms.bibliographicCitation.journaltitleZeitschrift für Physikalische Chemie : International Journal of Research in Physical Chemistry and Chemical Physicsen
dcterms.bibliographicCitation.originalpublishernameDe Gruyteren
dcterms.bibliographicCitation.originalpublisherplaceBerlinen
tub.accessrights.dnbdomain*
tub.affiliationFak. 2 Mathematik und Naturwissenschaften::Inst. Chemie::FG Anorganische Chemie - Festkörper- und Materialchemiede
tub.affiliation.facultyFak. 2 Mathematik und Naturwissenschaftende
tub.affiliation.groupFG Anorganische Chemie - Festkörper- und Materialchemiede
tub.affiliation.instituteInst. Chemiede
tub.publisher.universityorinstitutionTechnische Universität Berlinde
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