Materials Data on Tb3(MnC3)2 by Materials Project

Abstract

Tb3(MnC3)2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Tb+3.33+ is bonded in a 8-coordinate geometry to eight C+2.33- atoms. There are a spread of Tb–C bond distances ranging from 2.47–2.81 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent C+2.33- atoms to form face-sharing MnC6 octahedra. All Mn–C bond lengths are 2.12 Å. In the second Mn2+ site, Mn2+ is bonded in a trigonal planar geometry to three equivalent C+2.33- atoms. All Mn–C bond lengths are 1.83 Å. There are two inequivalent C+2.33- sites. In the first C+2.33- site, C+2.33- is bonded in a 7-coordinate geometry to four equivalent Tb+3.33+, two equivalent Mn2+, and one C+2.33- atom. The C–C bond length is 1.37 Å. In the second C+2.33- site, C+2.33- is bonded in a 6-coordinate geometry to four equivalent Tb+3.33+, one Mn2+, and one C+2.33- atom.