title: New nickel gallium boride, B14Ga3Ni27: synthesis and crystal structure.
abstract: 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.
authors.affiliation: Agrégats, Interfaces, Matériaux pour l'Energie, Institut Charles Gerhardt, UMR 5253 CNRS UM2, CC1502, Université de Montpellier 2, Sciences et Techniques du Languedoc, 2 Place Eugène Bataillon, 34095 Montpellier Cedex, France. mtillard@univ-montp2.fr
authors.forename: Monique
authors.initials: M
authors.lastname: Tillard
authors.forename: Claude
authors.initials: C
authors.lastname: Belin