Materials Data on YGaI by Materials Project
YI(Ga) crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one YI(Ga) sheet oriented in the (0, 0, 1) direction. Y is bonded to six equivalent Ga and three equivalent I atoms to form a mixture of distorted edge and face-sharing YGa6I3 octahedra. There are three shorter (2.95 Å) and three longer (3.39 Å) Y–Ga bond lengths. All Y–I bond lengths are 3.15 Å. Ga is bonded in a 6-coordinate geometry to six equivalent Y and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.53 Å. I is bonded in a distorted T-shaped geometry to three equivalent Y atoms.
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