Materials Data on Tb2Ga8Fe by Materials Project

Tb2FeGa8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tb is bonded to twelve Ga atoms to form a mixture of corner and face-sharing TbGa12 cuboctahedra. There are a spread of Tb–Ga bond distances ranging from 3.00–3.06 Å. Fe is bonded in a body-centered cubic geometry to eight Ga atoms. All Fe–Ga bond lengths are 2.48 Å. There are six inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to two equivalent Tb, two equivalent Fe, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.54–3.02 Å. In the second Ga site, Ga is bonded in a 11-coordinate geometry to two equivalent Tb, two equivalent Fe, and seven Ga atoms. There are one shorter (2.54 Å) and two longer (2.99 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 11-coordinate geometry to two equivalent Tb, two equivalent Fe, and seven Ga atoms. Both Ga–Tb bond lengths are 3.00 Å. There are two shorter (2.99 Å) and four longer (3.02 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to two equivalent Tb, two equivalent Fe, and seven Ga atoms. Both Ga–Tb bond lengths are 3.00 Å. Both Ga–Ga bond lengths are 2.99 Å. In the fifth Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Tb atoms. In the sixth Ga site, Ga is bonded in a distorted rectangular see-saw-like geometry to four equivalent Tb and four Ga atoms.