New ternary MgCo2Ga5 and MgNi2Ga5 gallides
-
Nazar Pavlyuk
,
Beata Rożdżyńska-Kiełbik
Abstract
The crystal structure of new isostructural compounds MgCo2Ga5 and MgNi2Ga5 has been investigated using single-crystal X-ray diffraction. Both compounds represent a new type of structure: orthorhombic, space group Pnnm, oP16, with the following lattice parameters: a = 6.2700(2) Å, b = 6.6946(2) Å, c = 6.0789(2) Å (for MgCo2Ga5) and a = 6.2693(3) Å, b = 6.6968 Å, c = 6.0794 Å (for MgNi2Ga5). The MgCo2Ga5 and MgNi2Ga5 are closely related to the tetragonal structure of CoGa3 which crystallizes in the ht-IrIn3 type. The orthorhombic structures of MgCo2Ga5 and MgNi2Ga5 are derived from CoGa3 via a translationengleiche symmetry reduction of index 2. The symmetry reduction from P42/mnm to Pnnm causes that the 4c site splits into two sites 2c and 2d. The gallium atoms together with cobalt or nickel form 3D-nets with channels, in which magnesium atoms are inserted. The formation of these polyatomic nets is confirmed by distribution of electron localization function (ELF) and charges of atoms.
Funding source: National Science Centre, Poland
Award Identifier / Grant number: 2017/25/B/ST8/02179
Author contributions: The manuscript was written through contributions of all authors. All authors have given approval to the final version of the manuscript.
Research funding: Funding for this research was provided by National Science Centre, Poland (No. 2017/25/B/ST8/02179).
Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
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Articles in the same Issue
- Frontmatter
- Graphical Synopsis
- Original Paper
- From the Ritter pile to the aluminum ion battery – Peter Paufler’s academic genealogy
- New ternary MgCo2Ga5 and MgNi2Ga5 gallides
- A study on the limit of application of kinematical theory of X-ray diffraction
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Articles in the same Issue
- Frontmatter
- Graphical Synopsis
- Original Paper
- From the Ritter pile to the aluminum ion battery – Peter Paufler’s academic genealogy
- New ternary MgCo2Ga5 and MgNi2Ga5 gallides
- A study on the limit of application of kinematical theory of X-ray diffraction
- Synthesis, revised crystal structures, and refractive indices of ABW-type CsMTiO4 (M = Al, Fe, Ga) and ANA-type CsTi1.10Si1.90O6.50, and the determination of the electronic polarizability of 4-coordinated Ti4+
- Molecular inorganic polymers: synthesis and crystal structures of KCl72H2SeO3 and CsCl7H2SeO3
- Artefacts from Ban Chiang, Thailand: pottery with hematite-red geometric patterns
- Theoretical and experimental solid state studies of Ethyl 1-benzyl-2-(thiophen-3-yl)-1H-benzo[d]imidazole-5-carboxylate
