Redetermination of Dy3Ni from single-crystal X-ray data

Volodymyr Levytskyy,Volodymyr Smetana,Volodymyr Babizhetskyy,Bohdan Kotur

doi:10.1107/s1600536813028717

Volodymyr Levytskyy, Volodymyr Smetana + Show 2 more

Open Access

https://doi.org/10.1107/s1600536813028717

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Abstract

The classification of the title compound, tridysprosium nickel, into the Fe3C (or Al3Ni) structure type has been deduced from powder X-ray diffraction data with lattice parameters reported in a previous study [Lemaire & Paccard (1967 ▶). Bull. Soc. Fr. Mineral. Cristallogr. 40, 311–315]. The current re-investigation of Dy3Ni based on single-crystal X-ray data revealed atomic positional parameters and anisotropic displacement parameters with high precision. The asymmetric unit consists of two Dy and one Ni atoms. One Dy atom has site symmetry .m. (Wyckoff position 4c) and is surrounded by twelve Dy and three Ni atoms. The other Dy atom (site symmetry 1, 8d) has eleven Dy and three Ni atoms as neighbours, forming a distorted Frank–Kasper polyhedron. The coordination polyhedron of the Ni atom (.m., 4c) is a tricapped trigonal prism formed by nine Dy atoms.

Highlights

The classification of the title compound, tridysprosium nickel, into the Fe3C structure type has been deduced from powder X-ray diffraction data with lattice parameters reported in a previous study [Lemaire & Paccard (1967)
The current re-investigation of Dy3Ni based on single-crystal X-ray data revealed atomic positional parameters and anisotropic displacement parameters with high precision
The asymmetric unit consists of two Dy and one Ni atoms

Summary

Data collection

R factor = 0.042; wR factor = 0.052; data-to-parameter ratio = 25.3. The classification of the title compound, tridysprosium nickel, into the Fe3C (or Al3Ni) structure type has been deduced from powder X-ray diffraction data with lattice parameters reported in a previous study [Lemaire & Paccard (1967). The current re-investigation of Dy3Ni based on single-crystal X-ray data revealed atomic positional parameters and anisotropic displacement parameters with high precision. One Dy atom has site symmetry .m. (Wyckoff position 4c) and is surrounded by twelve Dy and three Ni atoms. The other Dy atom (site symmetry 1, 8d) has eleven Dy and three Ni atoms as neighbours, forming a distorted Frank–Kasper polyhedron. The coordination polyhedron of the Ni atom (.m., 4c) is a tricapped trigonal prism formed by nine Dy atoms

Related literature

Stoe IPDS II diffractometer

Special details

Findings

Ni x y z