Materials Data on Sn2P2O7 by Materials Project

Abstract

Sn2P2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sn2+ is bonded to five O2- atoms to form distorted SnO5 square pyramids that share corners with five equivalent PO4 tetrahedra and edges with two equivalent SnO5 square pyramids. There are a spread of Sn–O bond distances ranging from 2.29–2.57 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with five equivalent SnO5 square pyramids and a cornercorner with one PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sn2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms.