Materials Data on P3Ir by Materials Project

IrP3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ir3+ is bonded to six equivalent P1- atoms to form IrP6 octahedra that share corners with six equivalent IrP6 octahedra and corners with twelve equivalent PP2Ir2 tetrahedra. The corner-sharing octahedral tilt angles are 63°. All Ir–P bond lengths are 2.37 Å. P1- is bonded to two equivalent Ir3+ and two equivalent P1- atoms to form PP2Ir2 tetrahedra that share corners with four equivalent IrP6 octahedra, corners with ten equivalent PP2Ir2 tetrahedra, and an edgeedge with one PP2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 68–69°. There are one shorter (2.25 Å) and one longer (2.35 Å) P–P bond lengths.