Materials Data on Tb2(GeIr)3 by Materials Project

Tb2(IrGe)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tb is bonded to four equivalent Tb, one Ir, and one Ge atom to form distorted TbTb4GeIr octahedra that share a cornercorner with one IrGe2Ir4 octahedra, a cornercorner with one GeGe4Ir2 octahedra, corners with four equivalent TbTb4GeIr octahedra, edges with four equivalent TbTb4GeIr octahedra, and edges with four equivalent GeTbGe4Ir octahedra. The corner-sharing octahedral tilt angles are 0°. All Tb–Tb bond lengths are 2.79 Å. The Tb–Ir bond length is 2.64 Å. The Tb–Ge bond length is 3.08 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted linear geometry to one Tb and one Ge atom. The Ir–Ge bond length is 2.51 Å. In the second Ir site, Ir is bonded to four equivalent Ir and two equivalent Ge atoms to form distorted IrGe2Ir4 octahedra that share corners with two equivalent TbTb4GeIr octahedra, corners with four equivalent IrGe2Ir4 octahedra, edges with four equivalent IrGe2Ir4 octahedra, and edges with eight equivalent GeTbGe4Ir octahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–Ir bond lengths are 2.79 Å. Both Ir–Ge bond lengths are 2.39 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to one Tb, one Ir, and four equivalent Ge atoms to form distorted GeTbGe4Ir octahedra that share corners with five equivalent GeTbGe4Ir octahedra, edges with four equivalent TbTb4GeIr octahedra, edges with four equivalent IrGe2Ir4 octahedra, and edges with four equivalent GeTbGe4Ir octahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–Ge bond lengths are 2.79 Å. In the second Ge site, Ge is bonded to two equivalent Ir and four equivalent Ge atoms to form distorted GeGe4Ir2 octahedra that share corners with two equivalent TbTb4GeIr octahedra, corners with four equivalent GeGe4Ir2 octahedra, and edges with four equivalent GeGe4Ir2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–Ge bond lengths are 2.79 Å.