Materials Data on K2TcH9 by Materials Project

Abstract

K2TcH9 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to ten H+0.11+ atoms. There are eight shorter (2.71 Å) and two longer (2.93 Å) K–H bond lengths. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to fourteen H+0.11+ atoms. There are a spread of K–H bond distances ranging from 2.93–3.06 Å. There are two inequivalent Tc3- sites. In the first Tc3- site, Tc3- is bonded in a 9-coordinate geometry to nine H+0.11+ atoms. There is three shorter (1.66 Å) and six longer (1.70 Å) Tc–H bond length. In the second Tc3- site, Tc3- is bonded in a 9-coordinate geometry to nine H+0.11+ atoms. There is three shorter (1.66 Å) and six longer (1.70 Å) Tc–H bond length. There are four inequivalent H+0.11+ sites. In the first H+0.11+ site, H+0.11+ is bonded in a 1-coordinate geometry to three K1+ and one Tc3- atom. In the second H+0.11+ site, H+0.11+ is bonded in a single-bond geometry to two equivalent K1+ and one Tc3- atom. In the third H+0.11+ site, H+0.11+ is bonded in a 1-coordinate geometry to three K1+ and one Tc3- atom. In the fourth H+0.11+ site, H+0.11+ is bonded in a single-bond geometry to two equivalent K1+ and one Tc3- atom.