Materials Data on Li2U3(SeO10)2 by Materials Project

Li2U3(SeO10)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 1.91–2.48 Å. There are two inequivalent U sites. In the first U site, U is bonded in a 2-coordinate geometry to eight O atoms. There are a spread of U–O bond distances ranging from 1.80–2.74 Å. In the second U site, U is bonded to seven O atoms to form distorted edge-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.87–2.45 Å. Se is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.72–1.74 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two U and one Se atom. In the second O site, O is bonded in a 2-coordinate geometry to two U and one Se atom. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Li and one O atom. The O–O bond length is 1.24 Å. In the fourth O site, O is bonded in a trigonal planar geometry to three U atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Li and one O atom. The O–O bond length is 1.23 Å. In the sixth O site, O is bonded in a linear geometry to one Li and one U atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Li and one O atom. 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 linear geometry to one Li and one U atom. In the tenth O site, O is bonded in a bent 120 degrees geometry to one U and one Se atom.