Materials Data on USNO9 by Materials Project

Abstract

UNSO9 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two UNSO9 clusters. U is bonded in a 6-coordinate geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.81–2.60 Å. N is bonded in a single-bond geometry to one S atom. The N–S bond length is 1.65 Å. S is bonded in a tetrahedral geometry to one N and three O atoms. There is two shorter (1.45 Å) and one longer (1.51 Å) S–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one S atom. In the second O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.25 Å) and one longer (1.34 Å) O–O bond length. In the third O site, O is bonded in a bent 120 degrees geometry to one U and one O atom. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In the fifth O site, O is bonded in a single-bond geometry to one O atom. 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 equivalent U atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to one U and one S atom. In the ninth O site, O is bonded in a single-bond geometry to one S atom.