Materials Data on P4Os by Materials Project

Abstract

OsP4 is Hausmannite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Os4+ is bonded to six P1- atoms to form OsP6 octahedra that share corners with four equivalent OsP6 octahedra and corners with fourteen PP2Os2 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are four shorter (2.39 Å) and two longer (2.43 Å) Os–P bond lengths. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded to two equivalent Os4+ and two equivalent P1- atoms to form PP2Os2 tetrahedra that share corners with two equivalent OsP6 octahedra and corners with fourteen PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 63–71°. There are one shorter (2.19 Å) and one longer (2.20 Å) P–P bond lengths. In the second P1- site, P1- is bonded to one Os4+ and three P1- atoms to form PP3Os tetrahedra that share corners with five equivalent OsP6 octahedra and corners with nine PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 47–80°. The P–P bond length is 2.35 Å.