Materials Data on K2TcCl5O by Materials Project

Abstract

K2TcOCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.30–3.70 Å. Tc5+ is bonded in a distorted octahedral geometry to one O2- and five Cl1- atoms. The Tc–O bond length is 1.67 Å. There are four shorter (2.40 Å) and one longer (2.57 Å) Tc–Cl bond lengths. O2- is bonded in a single-bond geometry to one Tc5+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Tc5+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Tc5+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Tc5+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Tc5+ atom.