Materials Data on Lu10Mn13C18 by Materials Project

Abstract

(Lu5(Mn2C3)3)2Mn crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two manganese molecules and one Lu5(Mn2C3)3 framework. In the Lu5(Mn2C3)3 framework, there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight C+3.11- atoms. There are four shorter (2.41 Å) and four longer (2.57 Å) Lu–C bond lengths. In the second Lu3+ site, Lu3+ is bonded to six equivalent C+3.11- atoms to form distorted corner-sharing LuC6 pentagonal pyramids. There are three shorter (2.53 Å) and three longer (2.60 Å) Lu–C bond lengths. Mn2+ is bonded in a distorted trigonal non-coplanar geometry to three C+3.11- atoms. There is two shorter (1.86 Å) and one longer (2.04 Å) Mn–C bond length. There are two inequivalent C+3.11- sites. In the first C+3.11- site, C+3.11- is bonded to four Lu3+ and two equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing CLu4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 5–68°. In the second C+3.11- site, C+3.11- is bonded in a 7-coordinate geometry to four equivalent Lu3+, two equivalent Mn2+, and one C+3.11- atom. The C–C bond length is 1.38 Å.