Materials Data on K2Mo3O13 by Materials Project
K2Mo3O11O2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one K2Mo3O11 framework. In the K2Mo3O11 framework, K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.74–2.93 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.34 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.27 Å. There are five inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three Mo atoms. In the second O site, O is bonded in a distorted single-bond geometry to one K and one Mo atom. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent K atoms. In the fourth O site, O is bonded in a 1-coordinate geometry to two equivalent K and one Mo atom. In the fifth O site, O is bonded in a 3-coordinate geometry to three Mo atoms.