Materials Data on TcC5ClO5 by Materials Project

Abstract

TcC5O5Cl is beta Sn-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four TcC5O5Cl clusters. Tc1- is bonded in an octahedral geometry to five C+2.40+ and one Cl1- atom. There are a spread of Tc–C bond distances ranging from 1.92–2.02 Å. The Tc–Cl bond length is 2.51 Å. There are three 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 1.15 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. In the third 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. There are three 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. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. Cl1- is bonded in a single-bond geometry to one Tc1- atom.