Materials Data on Dy11(Mn2C3)6 by Materials Project

Abstract

Dy(Dy5(Mn2C3)3)2 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two dysprosium molecules and one Dy5(Mn2C3)3 framework. In the Dy5(Mn2C3)3 framework, there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six equivalent C+3.17- atoms to form distorted DyC6 pentagonal pyramids that share corners with six equivalent DyC6 pentagonal pyramids and edges with six equivalent DyC8 hexagonal bipyramids. There are three shorter (2.59 Å) and three longer (2.66 Å) Dy–C bond lengths. In the second Dy3+ site, Dy3+ is bonded to eight C+3.17- atoms to form distorted DyC8 hexagonal bipyramids that share edges with two equivalent DyC8 hexagonal bipyramids, edges with four equivalent DyC6 pentagonal pyramids, and faces with four equivalent DyC8 hexagonal bipyramids. There are four shorter (2.50 Å) and four longer (2.63 Å) Dy–C bond lengths. Mn2+ is bonded in a distorted trigonal non-coplanar geometry to three C+3.17- atoms. There is two shorter (1.87 Å) and one longer (2.06 Å) Mn–C bond length. There are two inequivalent C+3.17- sites. In the first C+3.17- site, C+3.17- is bonded in a 7-coordinate geometry to four equivalent Dy3+, two equivalent Mn2+, and one C+3.17- atom. The C–C bond length is 1.38 Å. In the second C+3.17- site, C+3.17- is bonded to four Dy3+ and two equivalent Mn2+ atoms to form a mixture of distorted corner and edge-sharing CDy4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 3–70°.