Materials Data on Er2Si5Ru3 by Materials Project
Er2Ru3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Er3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Er–Si bond distances ranging from 2.96–3.32 Å. There are two inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded to five Si+2.40- atoms to form a mixture of distorted edge and corner-sharing RuSi5 trigonal bipyramids. There are one shorter (2.37 Å) and four longer (2.43 Å) Ru–Si bond lengths. In the second Ru2+ site, Ru2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.44 Å) and two longer (2.52 Å) Ru–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 4-coordinate geometry to four equivalent Er3+ and four equivalent Ru2+ atoms. In the second Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent Er3+, three Ru2+, and four Si+2.40- atoms. There are two shorter (2.54 Å) and two longer (2.79 Å) Si–Si bond lengths. In the third Si+2.40- site, Si+2.40- is bonded in a 6-coordinate geometry to four equivalent Er3+, three Ru2+, and two equivalent Si+2.40- atoms.