Synthesis, crystal structure, and physical properties of a new boride Ga2Ni21B20
 with a modified Zn2Ni21B20-type structure

Zheng, Qiang; Gumeniuk, Roman; Schnelle, Walter; Prots, Yurii; Burkhardt, Ulrich; Leithe-Jasper, Andreas

doi:10.1016/j.solidstatesciences.2016.02.011

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Synthesis, crystal structure, and physical properties of a new boride Ga₂Ni₂₁B₂₀ with a modified Zn₂Ni₂₁B₂₀-type structure

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Zheng, Qiang
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126632

Gumeniuk, Roman
Roman Gumeniuk, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126838

Schnelle, Walter
Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126806

Prots, Yurii
Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Burkhardt, Ulrich
Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126726

Leithe-Jasper, Andreas
Andreas Leithe-Jasper, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Zheng, Q., Gumeniuk, R., Schnelle, W., Prots, Y., Burkhardt, U., & Leithe-Jasper, A. (2016). Synthesis, crystal structure, and physical properties of a new boride Ga₂Ni₂₁B₂₀ with a modified Zn₂Ni₂₁B₂₀-type structure. Solid State Sciences, 55, 93-97. doi:10.1016/j.solidstatesciences.2016.02.011.

Cite as: https://hdl.handle.net/11858/00-001M-0000-002A-C5AF-3

Abstract

A ternary boride Ga2Ni21B20, with modified Zn2Ni21B20-type structure (space group I4/mmm, and lattice parameters a = 7.2164(1) angstrom, c = 14.2715(4) angstrom), was synthesized from the constituent elements. Single crystal diffraction data reveal Ni at 8f site splitting into 16m position with nearly half occupancy. In this structure, [Ni6B20] cages share ligand boron atoms with [Ga2B4Ni9] hexa-capped square prisms, forming two dimensional layers. Layers are interconnected via Ga-Ni interactions and build up a three-dimensional framework. Quasi-two-dimensional infinite planar nets formed by intercrossed Ni atoms are embedded. Ga2Ni21B20 is a metallic Pauli paramagnet, in agreement with electronic structure calculations, resulting in 8.2 states eV(-1) f.u(-1) at the Fermi level. (C) 2016 Elsevier Masson SAS. All rights reserved.