Materials Data on USeO10 by Materials Project

Abstract

(USeO7)2(O2)3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of twelve oxygen molecules and two USeO7 ribbons oriented in the (1, 0, 1) direction. In each USeO7 ribbon, U is bonded to six O atoms to form distorted UO6 octahedra that share corners with three equivalent SeO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.40 Å. Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with three equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 39–47°. There are a spread of Se–O bond distances ranging from 1.64–1.70 Å. There are seven 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 single-bond geometry to one U atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one Se atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one U and one Se atom. In the sixth O site, O is bonded in a single-bond geometry to one Se atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one U and one Se atom.