Materials Data on CsNaMoO6 by Materials Project
CsNaMoO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Cs is bonded in a 6-coordinate geometry to eight O atoms. There are a spread of Cs–O bond distances ranging from 2.93–3.54 Å. Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.35–2.90 Å. Mo is bonded in a tetrahedral geometry to four O atoms. There are a spread of Mo–O bond distances ranging from 1.79–1.83 Å. There are six inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Cs and two equivalent Na atoms. In the second O site, O is bonded in a 4-coordinate geometry to one Cs, two equivalent Na, and one Mo atom. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Cs and one Mo atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one Mo atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Cs and one Mo atom. In the sixth O site, O is bonded in a distorted T-shaped geometry to one Cs and two equivalent Na atoms.