Materials Data on Li2P2WO8 by Materials Project

Abstract

Li2WP2O8 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Li1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are one shorter (1.86 Å) and three longer (2.22 Å) Li–O bond lengths. W4+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent PO4 tetrahedra. All W–O bond lengths are 2.09 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent WO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There is one shorter (1.50 Å) and three longer (1.57 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one W4+, and one P5+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Li1+ and one P5+ atom.