Materials Data on U2Fe3Si5 by Materials Project

Abstract

U2Fe3Si5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. U3+ is bonded in a 11-coordinate geometry to one Fe2+ and ten Si+2.40- atoms. The U–Fe bond length is 2.79 Å. There are a spread of U–Si bond distances ranging from 2.87–3.11 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 6-coordinate geometry to one U3+ and five Si+2.40- atoms. There are a spread of Fe–Si bond distances ranging from 2.28–2.40 Å. In the second Fe2+ site, Fe2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are a spread of Fe–Si bond distances ranging from 2.32–2.55 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 Fe2+, and two Si+2.40- atoms. There are one shorter (2.45 Å) and one longer (2.51 Å) Si–Si bond lengths. In the second Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent U3+, three Fe2+, and four Si+2.40- atoms. Both Si–Si bond lengths are 2.74 Å. In the third Si+2.40- site, Si+2.40- is bonded in a 10-coordinate geometry to four equivalent U3+, four equivalent Fe2+, and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.75 Å. In the fourth Si+2.40- site, Si+2.40- is bonded in a 2-coordinate geometry to four equivalent U3+, three Fe2+, and four Si+2.40- atoms.