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Studied and Forgotten. A Fresh Look at the Li–Mn–Ge System
Author(s) -
Ovchinnikov Alexander,
Bobev Svilen
Publication year - 2020
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.202000133
Subject(s) - germanide , crystal structure , crystallography , antiferromagnetism , ternary operation , superstructure , lattice (music) , diffraction , materials science , condensed matter physics , chemistry , physics , thermodynamics , germanium , metallurgy , optics , silicon , computer science , acoustics , programming language
The crystal structure of the ternary germanide Li 2 MnGe 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 P 4 bm , Pearson code tP 16), with the lattice parameters a = 6.088(4) Å, c = 6.323(4) Å. 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 Li 2– x Mn 4+ x Ge 5 ( x ≈ 1.2) was discovered. It adopts the V 6 Si 5 structure type (space group Ibam , Pearson code oI 44), with the lattice parameters a = 7.570(2) Å, b = 16.323(3) Å, c = 5.057(1) Å. DSC/TG measurements show that this compound is thermally stable below 995 K.