Materials Data on KTaWO7 by Materials Project
(KTaWO6)2O2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional and consists of four water molecules and one KTaWO6 framework. In the KTaWO6 framework, K is bonded in a hexagonal planar geometry to six O atoms. There are two shorter (2.72 Å) and four longer (2.76 Å) K–O bond lengths. Ta is bonded to six O atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 37–38°. There is two shorter (1.99 Å) and four longer (2.00 Å) Ta–O bond length. W is bonded to six O atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 36–37°. There is four shorter (1.94 Å) and two longer (1.96 Å) W–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent K and two equivalent Ta atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent W atoms. In the third O site, O is bonded in a 3-coordinate geometry to one K, one Ta, and one W atom.