Materials Data on P2Ru by Materials Project

Abstract

RuP2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ru6+ is bonded to six equivalent P3- atoms to form RuP6 octahedra that share corners with eight equivalent RuP6 octahedra, corners with six equivalent PPRu3 tetrahedra, and edges with two equivalent RuP6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are two shorter (2.36 Å) and four longer (2.39 Å) Ru–P bond lengths. P3- is bonded to three equivalent Ru6+ and one P3- atom to form PPRu3 tetrahedra that share corners with three equivalent RuP6 octahedra, corners with thirteen equivalent PPRu3 tetrahedra, and an edgeedge with one PPRu3 tetrahedra. The corner-sharing octahedra tilt angles range from 68–71°. The P–P bond length is 2.25 Å.