Materials Data on UClO5 by Materials Project

Abstract

UO5Cl crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two UO5Cl ribbons oriented in the (0, 1, 0) direction. there are two inequivalent U sites. In the first U site, U is bonded in a 6-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.80–2.60 Å. In the second U site, U is bonded in a 6-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.84–2.75 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a bent 150 degrees geometry to one U and one Cl atom. The O–Cl bond length is 1.50 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one U and one Cl atom. The O–Cl bond length is 1.59 Å. In the fifth O site, O is bonded in a water-like geometry to two U atoms. In the sixth O site, O is bonded in a single-bond geometry to one U atom. In the seventh O site, O is bonded in a water-like geometry to two U atoms. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one Cl atom. The O–Cl bond length is 1.50 Å. In the ninth O site, O is bonded in a single-bond geometry to one U atom. In the tenth O site, O is bonded in a single-bond geometry to one U atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one O atom. In the second Cl site, Cl is bonded in a bent 120 degrees geometry to two O atoms.