Materials Data on K3(TcCl4)2 by Materials Project

Abstract

K3(TcCl4)2 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.17–3.83 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.22–3.32 Å. Tc+2.50+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are a spread of Tc–Cl bond distances ranging from 2.34–2.41 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Tc+2.50+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three K1+ and one Tc+2.50+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Tc+2.50+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Tc+2.50+ atom.