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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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http://pubman.mpdl.mpg.de/cone/persons/resource/persons126933

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

http://pubman.mpdl.mpg.de/cone/persons/resource/persons126632

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

http://pubman.mpdl.mpg.de/cone/persons/resource/persons126838

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

http://pubman.mpdl.mpg.de/cone/persons/resource/persons126806

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

http://pubman.mpdl.mpg.de/cone/persons/resource/persons126556

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

http://pubman.mpdl.mpg.de/cone/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: http://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.