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New Nickel Gallium Boride, B14Ga3Ni27: Synthesis and Crystal Structure
Author(s) -
Monique Tillard,
C. Belin
Publication year - 2011
Publication title -
inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.348
H-Index - 233
eISSN - 1520-510X
pISSN - 0020-1669
DOI - 10.1021/ic102212n
Subject(s) - gallium , chemistry , monoclinic crystal system , nickel , crystallography , crystal structure , boron , boride , group (periodic table) , crystal (programming language) , single crystal , metal , inorganic chemistry , organic chemistry , computer science , programming language
Crystals of the new compound B(14)Ga(3)Ni(27) were successfully prepared by arc melting of the elements. B(14)Ga(3)Ni(27) crystallizes as a novel structure type in the monoclinic space group P2(1)/m with unit cell parameters a = 8.6859(4) Å, b = 10.7477(4) Å, c = 8.8425(3) Å, β = 90.707(4)°, and Z = 2. Its structure was solved from single crystal data and refined to R1(F) = 0.0225. The unit cell of B(14)Ga(3)Ni(27) contains boron dumbbells and isolated gallium atoms embedded in a nickel 3D-framework. Its electronic structure, calculated by DFT methods, indicates metallic properties.

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