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Studied and Forgotten. A Fresh Look at the Li-Mn-Ge System
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). University of Delaware, USA.
Number of Authors: 22020 (English)In: Zeitschrift für Anorganische und Allgemeines Chemie, ISSN 0044-2313, E-ISSN 1521-3749, Vol. 646, no 14, p. 1195-1204Article in journal (Refereed) Published
Abstract [en]

The crystal structure of the ternary germanide Li2MnGe has been re-evaluated from single-crystal X-ray diffraction data. This compound crystallizes in a non-centrosymmetric superstructure of the ZrCuSiAs type (space group P4bm, Pearson code tP16), with the lattice parameters a = 6.088(4) angstrom, c = 6.323(4) angstrom. First-principle calculations for the idealized structure predict antiferromagnetic exchange in the square Mn nets and semimetallic ground state. In addition, a new ternary phase with the composition Li2-xMn4+xGe5 (x approximate to 1.2) was discovered. It adopts the V6Si5 structure type (space group Ibam, Pearson code oI44), with the lattice parameters a = 7.570(2) angstrom, b = 16.323(3) angstrom, c = 5.057(1) angstrom. DSC/TG measurements show that this compound is thermally stable below 995 K.

Place, publisher, year, edition, pages
2020. Vol. 646, no 14, p. 1195-1204
Keywords [en]
Germanides, Structure elucidation, Zintl phases, Electronic structure, Magnetic properties
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:su:diva-182942DOI: 10.1002/zaac.202000133ISI: 000535057500001OAI: oai:DiVA.org:su-182942DiVA, id: diva2:1453516
Available from: 2020-07-10 Created: 2020-07-10 Last updated: 2022-02-26Bibliographically approved

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Ovchinnikov, Alexander

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