Materials Data on Tb3Mn3Ga2Si by Materials Project

Abstract

Tb3Mn3Ga2Si crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to six equivalent Mn, three Ga, and two equivalent Si atoms. There are a spread of Tb–Mn bond distances ranging from 3.20–3.36 Å. There are one shorter (2.94 Å) and two longer (2.98 Å) Tb–Ga bond lengths. Both Tb–Si bond lengths are 2.95 Å. Mn is bonded in a 12-coordinate geometry to six equivalent Tb, two equivalent Mn, three Ga, and one Si atom. Both Mn–Mn bond lengths are 2.87 Å. There are two shorter (2.67 Å) and one longer (2.80 Å) Mn–Ga bond lengths. The Mn–Si bond length is 2.69 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to three equivalent Tb and six equivalent Mn atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Mn atoms. Si is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Mn atoms.