Materials Data on CsPO4 by Materials Project

CsPO4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Cs–O bond distances ranging from 3.22–3.58 Å. P is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cs and one P atom. In the second O site, O is bonded in a single-bond geometry to three equivalent Cs and one P atom. In the third O site, O is bonded in a single-bond geometry to three equivalent Cs and one P atom.