Materials Data on K2W2O7 by Materials Project

Abstract

K2W2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.29 Å. W6+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are a spread of W–O bond distances ranging from 1.81–2.19 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one W6+ atom. In the second O2- site, O2- is bonded to two equivalent K1+ and two equivalent W6+ atoms to form a mixture of distorted corner and edge-sharing OK2W2 tetrahedra. In the third O2- site, O2- is bonded in a linear geometry to four equivalent K1+ and two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent K1+ and two equivalent W6+ atoms.