Materials Data on TePIr by Materials Project
IrPTe is Spinel-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ir5+ is bonded to three equivalent P3- and three equivalent Te2- atoms to form IrTe3P3 octahedra that share corners with ten equivalent IrTe3P3 octahedra, corners with three equivalent PTeIr3 tetrahedra, corners with three equivalent TePIr3 tetrahedra, and an edgeedge with one IrTe3P3 octahedra. The corner-sharing octahedra tilt angles range from 58–64°. There are a spread of Ir–P bond distances ranging from 2.38–2.42 Å. There are a spread of Ir–Te bond distances ranging from 2.66–2.72 Å. P3- is bonded to three equivalent Ir5+ and one Te2- atom to form PTeIr3 tetrahedra that share corners with three equivalent IrTe3P3 octahedra, corners with six equivalent PTeIr3 tetrahedra, and corners with nine equivalent TePIr3 tetrahedra. The corner-sharing octahedra tilt angles range from 63–82°. The P–Te bond length is 2.57 Å. Te2- is bonded to three equivalent Ir5+ and one P3- atom to form distorted TePIr3 tetrahedra that share corners with three equivalent IrTe3P3 octahedra, corners with four equivalent TePIr3 tetrahedra, corners with nine equivalent PTeIr3 tetrahedra, and an edgeedge with one TePIr3 tetrahedra. The corner-sharing octahedra tilt angles range from 76–85°.