Materials Data on Gd3(MnC3)2 by Materials Project

Abstract

Gd3(MnC3)2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Gd3+ is bonded in a 6-coordinate geometry to eight C+2.17- atoms. There are a spread of Gd–C bond distances ranging from 2.47–2.84 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent C+2.17- atoms to form face-sharing MnC6 octahedra. All Mn–C bond lengths are 2.10 Å. In the second Mn2+ site, Mn2+ is bonded in a trigonal planar geometry to three equivalent C+2.17- atoms. All Mn–C bond lengths are 1.82 Å. There are two inequivalent C+2.17- sites. In the first C+2.17- site, C+2.17- is bonded in a 7-coordinate geometry to four equivalent Gd3+, two equivalent Mn2+, and one C+2.17- atom. The C–C bond length is 1.37 Å. In the second C+2.17- site, C+2.17- is bonded in a 1-coordinate geometry to four equivalent Gd3+, one Mn2+, and one C+2.17- atom.