Materials Data on Y10Mn13C18 by Materials Project

Abstract

Mn(Y5(Mn2C3)3)2 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two manganese molecules and one Y5(Mn2C3)3 framework. In the Y5(Mn2C3)3 framework, there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to eight C+3.11- atoms to form distorted YC8 hexagonal bipyramids that share edges with two equivalent YC8 hexagonal bipyramids, edges with four equivalent YC6 pentagonal pyramids, and faces with four equivalent YC8 hexagonal bipyramids. There are four shorter (2.49 Å) and four longer (2.62 Å) Y–C bond lengths. In the second Y3+ site, Y3+ is bonded to six equivalent C+3.11- atoms to form distorted YC6 pentagonal pyramids that share corners with six equivalent YC6 pentagonal pyramids and edges with six equivalent YC8 hexagonal bipyramids. There are three shorter (2.56 Å) and three longer (2.65 Å) Y–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 (2.08 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 Y3+ and two equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing CY4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 3–70°. In the second C+3.11- site, C+3.11- is bonded in a 7-coordinate geometry to four equivalent Y3+, two equivalent Mn2+, and one C+3.11- atom. The C–C bond length is 1.38 Å.