Materials Data on SbPN2O4F by Materials Project

Abstract

N2SbPO4F crystallizes in the tetragonal I4/m space group. The structure is two-dimensional and consists of eight ammonia molecules and two SbPO4F sheets oriented in the (0, 0, 1) direction. In each SbPO4F sheet, Sb3+ is bonded to four equivalent O2- and one F1- atom to form SbO4F square pyramids that share corners with four equivalent PO4 tetrahedra. All Sb–O bond lengths are 2.12 Å. The Sb–F bond length is 1.88 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent SbO4F square pyramids. All P–O bond lengths are 1.56 Å. O2- is bonded in a 2-coordinate geometry to one Sb3+ and one P5+ atom. F1- is bonded in a single-bond geometry to one Sb3+ atom.