Materials Data on K2CoP2WO10 by Materials Project

Abstract

K2WCoP2O10 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.63–2.70 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent CoO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of W–O bond distances ranging from 1.81–2.09 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Co–O bond distances ranging from 2.07–2.19 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent WO6 octahedra and corners with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 42–51°. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Co2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one W6+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one W6+ and one Co2+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one W6+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Co2+, and one P5+ atom.