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New ternary MgCo2Ga5 and MgNi2Ga5 gallides.
- Source :
- Zeitschrift für Kristallographie. Crystalline Materials; Nov2020, Vol. 235 Issue 11, p513-521, 9p
- Publication Year :
- 2020
-
Abstract
- The crystal structure of new isostructural compounds MgCo<subscript>2</subscript>Ga<subscript>5</subscript> and MgNi<subscript>2</subscript>Ga<subscript>5</subscript> 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 MgCo<subscript>2</subscript>Ga<subscript>5</subscript>) and a = 6.2693(3) Å, b = 6.6968 Å, c = 6.0794 Å (for MgNi<subscript>2</subscript>Ga<subscript>5</subscript>). The MgCo<subscript>2</subscript>Ga<subscript>5</subscript> and MgNi<subscript>2</subscript>Ga<subscript>5</subscript> are closely related to the tetragonal structure of CoGa<subscript>3</subscript> which crystallizes in the ht-IrIn<subscript>3</subscript> type. The orthorhombic structures of MgCo<subscript>2</subscript>Ga<subscript>5</subscript> and MgNi<subscript>2</subscript>Ga<subscript>5</subscript> are derived from CoGa<subscript>3</subscript> via a translationengleiche symmetry reduction of index 2. The symmetry reduction from P4<subscript>2</subscript>/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. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 21944946
- Volume :
- 235
- Issue :
- 11
- Database :
- Complementary Index
- Journal :
- Zeitschrift für Kristallographie. Crystalline Materials
- Publication Type :
- Academic Journal
- Accession number :
- 148251325
- Full Text :
- https://doi.org/10.1515/zkri-2020-0059