Materials Data on SbPOF8 by Materials Project

Abstract

SbPOF8 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four SbPOF8 clusters. Sb5+ is bonded to one O2- and five F1- atoms to form SbOF5 octahedra that share a cornercorner with one POF3 tetrahedra. The Sb–O bond length is 2.12 Å. There is three shorter (1.90 Å) and two longer (1.91 Å) Sb–F bond length. P5+ is bonded to one O2- and three F1- atoms to form POF3 tetrahedra that share a cornercorner with one SbOF5 octahedra. The corner-sharing octahedral tilt angles are 17°. The P–O bond length is 1.47 Å. There is two shorter (1.52 Å) and one longer (1.53 Å) P–F bond length. O2- is bonded in a 1-coordinate geometry to one Sb5+ and one P5+ atom. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one P5+ atom.