Materials Data on YGa4Ni by Materials Project

Abstract

YNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen Ga atoms. Both Y–Ni bond lengths are 3.14 Å. There are a spread of Y–Ga bond distances ranging from 2.90–3.36 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Y and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.34–2.51 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to four equivalent Y and six Ga atoms. There are two shorter (2.84 Å) and four longer (2.85 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a distorted linear geometry to three equivalent Y, one Ni, and eight Ga atoms. All Ga–Ga bond lengths are 2.99 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Y, three equivalent Ni, and six Ga atoms. There are one shorter (2.61 Å) and two longer (2.93 Å) Ga–Ga bond lengths.