Materials Data on U2Si5Ru3 by Materials Project

Abstract

U2Ru3Si5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. U3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of U–Si bond distances ranging from 2.96–3.29 Å. There are two inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are a spread of Ru–Si bond distances ranging from 2.41–2.61 Å. In the second Ru2+ site, Ru2+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Ru–Si bond distances ranging from 2.36–2.49 Å. There are four inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent U3+, three Ru2+, and two Si+2.40- atoms. There are one shorter (2.50 Å) and one longer (2.55 Å) Si–Si bond lengths. In the second Si+2.40- site, Si+2.40- is bonded in a 3-coordinate geometry to four equivalent U3+, three Ru2+, and two equivalent Si+2.40- atoms. In the third Si+2.40- site, Si+2.40- is bonded in a 4-coordinate geometry to four equivalent U3+ and four equivalent Ru2+ atoms. In the fourth Si+2.40- site, Si+2.40- is bonded in a 3-coordinate geometry to four equivalent U3+, three Ru2+, and two equivalent Si+2.40- atoms.