Materials Data on USe2NO8 by Materials Project

Abstract

(U(SeO4)2)2N2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four ammonia molecules and one U(SeO4)2 sheet oriented in the (-1, 0, 2) direction. In the U(SeO4)2 sheet, U3+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.79–2.47 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.73 Å. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.64–1.69 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Se4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U3+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U3+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one U3+ and one Se4+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one U3+ and one Se4+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one U3+ and one Se4+ atom.