Materials Data on TbFe5P3 by Materials Project
TbFe5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to ten Fe and six P atoms. There are a spread of Tb–Fe bond distances ranging from 2.94–3.12 Å. There are a spread of Tb–P bond distances ranging from 2.80–2.89 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Fe–P bond distances ranging from 2.26–2.54 Å. In the second Fe site, Fe is bonded to three equivalent Tb and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeTb3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.26–2.32 Å. In the third Fe site, Fe is bonded to three equivalent Tb and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeTb3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.21–2.35 Å. In the fourth Fe site, Fe is bonded to three equivalent Tb and four P atoms to form a mixture of distorted edge, face, and corner-sharing FeTb3P4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.33 Å) Fe–P bond lengths. In the fifth Fe site, Fe is bonded to one Tb and four P atoms to form distorted FeTbP4 tetrahedra that share corners with nine FeTb3P4 tetrahedra, edges with five FeTbP4 tetrahedra, and faces with two equivalent FeTb3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.16–2.25 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Tb and seven Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Tb and seven Fe atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Tb and seven Fe atoms.