Materials Data on U2Mn3Si5 by Materials Project

Abstract

U2Mn3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. U3+ is bonded in a 9-coordinate geometry to nine Si+2.40- atoms. There are a spread of U–Si bond distances ranging from 2.80–3.03 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six Si+2.40- atoms. There are a spread of Mn–Si bond distances ranging from 2.35–2.39 Å. In the second Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six Si+2.40- atoms. There are four shorter (2.35 Å) and two longer (2.66 Å) Mn–Si bond lengths. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent U3+, three Mn2+, and four Si+2.40- atoms. There are two shorter (2.48 Å) and two longer (2.70 Å) Si–Si bond lengths. In the second Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to three equivalent U3+, four Mn2+, and two equivalent Si+2.40- atoms. In the third Si+2.40- site, Si+2.40- is bonded in a 10-coordinate geometry to four equivalent U3+ and four equivalent Mn2+ atoms.