Materials Data on KU2Cl2O9 by Materials Project

Abstract

KU2O9Cl2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one KU2O9Cl2 sheet oriented in the (0, 0, 1) direction. K is bonded in a 7-coordinate geometry to five O and two Cl atoms. There are a spread of K–O bond distances ranging from 2.85–3.40 Å. There are one shorter (3.50 Å) and one longer (3.51 Å) K–Cl bond lengths. There are two inequivalent U sites. In the first U site, U is bonded in a 7-coordinate geometry to five O and two Cl atoms. There are a spread of U–O bond distances ranging from 1.83–3.12 Å. There are one shorter (2.65 Å) and one longer (2.84 Å) U–Cl bond lengths. In the second U site, U is bonded in a 6-coordinate geometry to six O and one Cl atom. There are a spread of U–O bond distances ranging from 1.85–2.32 Å. The U–Cl bond length is 2.93 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one K and one U atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one K and one U atom. In the third O site, O is bonded in a distorted single-bond geometry to one K and one U atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one U atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to two U atoms. In the sixth O site, O is bonded in a trigonal planar geometry to three U atoms. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one U and one O atom. The O–O bond length is 1.23 Å. In the eighth O site, O is bonded in a single-bond geometry to one U atom. In the ninth O site, O is bonded in a single-bond geometry to one O atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a 3-coordinate geometry to one K and two U atoms. In the second Cl site, Cl is bonded in a bent 120 degrees geometry to one K and one U atom.