Materials Data on LaGaNi by Materials Project

Abstract

LaNiGa crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Ga atoms. There are a spread of La–Ni bond distances ranging from 2.89–3.06 Å. There are a spread of La–Ga bond distances ranging from 3.23–3.62 Å. Ni is bonded in a 9-coordinate geometry to four equivalent La, one Ni, and four equivalent Ga atoms. The Ni–Ni bond length is 2.32 Å. There are a spread of Ni–Ga bond distances ranging from 2.62–2.93 Å. Ga is bonded to six equivalent La, four equivalent Ni, and two equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing GaLa6Ga2Ni4 cuboctahedra. Both Ga–Ga bond lengths are 2.79 Å.