Materials Data on TcC5IO5 by Materials Project

Abstract

TcC5O5I is alpha U structured and crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four TcC5O5I clusters. Tc1- is bonded in a distorted square pyramidal geometry to five C+2.40+ and one I1- atom. There is one shorter (1.94 Å) and four longer (2.01 Å) Tc–C bond length. The Tc–I bond length is 2.86 Å. There are two inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Tc1- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Tc1- and one O2- atom. The C–O bond length is 1.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. I1- is bonded in a single-bond geometry to one Tc1- atom.