Materials Data on CsUPNO9 by Materials Project

Abstract

CsUPNO9 crystallizes in the triclinic P-1 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 3.22–3.52 Å. U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.81–2.56 Å. P is bonded in a tetrahedral geometry to four O atoms. All P–O bond lengths are 1.55 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Cs, one U, and one P atom. In the second O site, O is bonded in a single-bond geometry to two equivalent Cs and one U atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one U and one P atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one Cs, one U, and one P atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Cs, one U, and one N atom. In the sixth O site, O is bonded in a single-bond geometry to one Cs and one U atom. In the seventh O site, O is bonded in a 1-coordinate geometry to one Cs, one U, and one N atom. In the eighth O site, O is bonded in a single-bond geometry to one Cs and one P atom. In the ninth O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one N atom.