Materials Data on U2Si3Os by Materials Project

Abstract

U2OsSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded to two equivalent Os2- and ten Si+1.33- atoms to form a mixture of edge and face-sharing USi10Os2 cuboctahedra. Both U–Os bond lengths are 2.97 Å. There are a spread of U–Si bond distances ranging from 2.98–3.05 Å. In the second U3+ site, U3+ is bonded to four equivalent Os2- and eight Si+1.33- atoms to form a mixture of edge and face-sharing USi8Os4 cuboctahedra. All U–Os bond lengths are 3.01 Å. There are a spread of U–Si bond distances ranging from 3.00–3.06 Å. Os2- is bonded in a 3-coordinate geometry to six U3+ and three Si+1.33- atoms. There are one shorter (2.42 Å) and two longer (2.43 Å) Os–Si bond lengths. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six U3+ and three Si+1.33- atoms. There are one shorter (2.33 Å) and two longer (2.36 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 2-coordinate geometry to six U3+, two equivalent Os2-, and one Si+1.33- atom. In the third Si+1.33- site, Si+1.33- is bonded in a 1-coordinate geometry to six U3+, one Os2-, and two equivalent Si+1.33- atoms.