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

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.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002A-C5AF-3 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-0902-3
Genre: Journal Article

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 Creators:
Zheng, Qiang1, Author              
Gumeniuk, Roman2, Author              
Schnelle, Walter3, Author              
Prots, Yurii4, Author              
Burkhardt, Ulrich5, Author              
Leithe-Jasper, Andreas6, Author              
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2Roman Gumeniuk, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863421              
3Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863441              
4Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863424              
5Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863422              
6Andreas Leithe-Jasper, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863406              

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 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.

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Language(s): eng - English
 Dates: 2016-05-012016-05-01
 Publication Status: Published in print
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Title: Solid State Sciences
Source Genre: Journal
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Publ. Info: Paris : Elsevier Masson SAS
Pages: - Volume / Issue: 55 Sequence Number: - Start / End Page: 93 - 97 Identifier: ISSN: 1293-2558
CoNE: /journals/resource/954926245540