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Synthesis, Crystal, and Electronic Structure of the New Ternary Zintl Phase Eu 2– x Mg 2– y Ge 3 ( x = 0.1; y = 0.5)
Author(s) -
Slabon Adam,
CuervoReyes Eduardo,
Kubata Christof,
Wörle Michael,
Mensing Christian,
Nesper Reinhard
Publication year - 2012
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.201200132
Subject(s) - crystallography , orthorhombic crystal system , crystal structure , zintl phase , antiferromagnetism , ternary operation , germanium , materials science , europium , stacking , chemistry , condensed matter physics , physics , silicon , luminescence , optoelectronics , organic chemistry , computer science , programming language , metallurgy
The new ternary phase Eu 2– x Mg 2– y Ge 3 ( x = 0.1, y = 0.5) was obtained by solid‐state synthesis and the structure determined by means of Single Crystal X‐ray Diffraction. The compound crystallizes with the orthorhombic space group Cmcm (no. 63) having structural features of the low‐temperature modification of LaSi. The crystal structure contains two different types of germanium anions: isolated Ge 4– and $\rm^{2}_{\infty}$ [Ge 2– x – y ] chains. The cation substructure is partially disordered and is best represented assuming a split position. The chemical bonding is well represented by the Zintl‐Klemm concept. Resistivity measurements reveal that the compound is metallic. DFT band structure calculations were carried out on the ideal stoichiometric compound Eu 2 Mg 2 Ge 3 , showing that this model ( x = 0; y = 0) would be also metallic as a consequence of the ecliptic stacking of anions. Susceptibility and specific heat measurements evidence the presence of weak, and probably frustrated, antiferromagnetic interactions between disordered europium atoms.