Materials Data on Tb(GaCo2)4 by Materials Project

Abstract

Tb(Co2Ga)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to sixteen Co and four equivalent Ga atoms. There are eight shorter (3.11 Å) and eight longer (3.21 Å) Tb–Co bond lengths. All Tb–Ga bond lengths are 2.88 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a distorted q6 geometry to two equivalent Tb, six Co, and four equivalent Ga atoms. There are four shorter (2.44 Å) and two longer (2.66 Å) Co–Co bond lengths. There are two shorter (2.65 Å) and two longer (2.66 Å) Co–Ga bond lengths. In the second Co site, Co is bonded to two equivalent Tb, six Co, and four equivalent Ga atoms to form a mixture of edge, face, and corner-sharing CoTb2Ga4Co6 cuboctahedra. Both Co–Co bond lengths are 2.47 Å. All Co–Ga bond lengths are 2.55 Å. Ga is bonded in a 10-coordinate geometry to one Tb, eight Co, and one Ga atom. The Ga–Ga bond length is 2.62 Å.