Materials Data on Tm2(CN2)3 by Materials Project

Abstract

Tm2(CN2)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tm3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Tm–N bond distances ranging from 2.31–2.49 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.22 Å) and one longer (1.25 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.23 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one C4+ atom. In the second N3- site, N3- is bonded to three equivalent Tm3+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NTm3C tetrahedra. In the third N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one C4+ atom.