Mg2MnGa3 – An orthorhombically distorted superstructure variant of the hexagonal Laves phase MgZn2

Author:

Pavlyuk Nazar12,Chumak Ihor1,Pavlyuk Volodymyr12,Ehrenberg Helmut3,Indris Sylvio3,Hlukhyy Viktor4,Pöttgen Rainer5

Affiliation:

1. Department of Inorganic Chemistry , Ivan Franko National University of Lviv , Kyryla i Mefodiya Street 6, 79005 Lviv , Ukraine

2. Częstochowa Jan Długosz University in Częstochowa, Institute of Chemistry , al. Armii Krajowej 13/15, 42200 , Częstochowa , Poland

3. Karlsruher Institut für Technologie (KIT), Institut für Angewandte Materialien (IAM-ESS) , Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen , Germany

4. Department of Chemistry , Technische Universität München , Lichtenbergstrasse 4, 85747 Garching , Germany

5. Institut für Anorganische und Analytische Chemie, Universität Münster , Corrensstrasse 30, 48149 Münster , Germany

Abstract

Abstract The Laves phase Mg2MnGa3 was synthesized from the elements by arc-melting and subsequent annealing in a silica ampoule at T = 670 K. The structure of Mg2MnGa3 was refined from single-crystal X-ray diffractometer data: URe2 type, Cmcm, a = 543.24(1), b = 869.59(3), c = 858.58(2) pm, wR2 = 0.0556, 273 F 2 values and 24 variables. The manganese and gallium atoms form a three-dimensional network of corner- and face-sharing MnGa3 tetrahedra that derive as a ternary ordering variant from the hexagonal Laves phase MgZn2. The structures of the distortion and coloring variants, i.e., MgZn2, URe2, Mg2Cu3Si and Mg2MnGa3 are discussed on the basis of a Bärnighausen tree. The electronic structure calculation data indicate that in addition to the metallic type of bonding an additional covalent interaction appears between the Ga–Ga and Mn–Ga atoms.

Publisher

Walter de Gruyter GmbH

Subject

General Chemistry

Reference63 articles.

1. Villars, P., Cenzual, K., Eds. Pearson’s Crystal Data: Crystal Structure Database for Inorganic Compounds (release 2021/22); ASM International®: Materials Park: Ohio (USA), 2021.

2. Parthé, E. Elements of Inorganic Structural Chemistry: Selected Efforts to Predict Structural Features, 2nd ed.; K. Sutter Parthé Publisher: Petit-Lancy, Switzerland, 1996. http://archive-ouverte.unige.ch/unige:97818 (accessed Jul 22, 2022).

3. Gulay, N. L., Kalychak, Y. M., Pöttgen, R. Z. Anorg. Allg. Chem. 2021, 647, 75–80; https://doi.org/10.1002/zaac.202000362.

4. Andersson, S., Hyde, B. G. J. Solid State Chem. 1974, 9, 92–101; https://doi.org/10.1016/0022-4596(74)90059-0.

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2. Ternary orthorhombic Laves phases Sr2Pd3Sn, Eu2Pd3Sn and Eu2Pd3In;Zeitschrift für Kristallographie - Crystalline Materials;2023-04-17

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