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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TcCl4 by Materials Project

TcCl4 crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of four TcCl4 ribbons oriented in the (1, 0, 0) direction. Tc4+ is bonded to six Cl1- atoms to form edge-sharing TcCl6 octahedra. There are a spread of Tc–Cl bond distances ranging from 2.26–2.51 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Tc4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Tc4+ atom. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Tc4+ atoms. In the fourth Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Tc4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TcCl3 by Materials Project

TcCl3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three TcCl3 sheets oriented in the (0, 0, 1) direction. Tc3+ is bonded to five Cl1- atoms to form a mixture of distorted edge and corner-sharing TcCl5 square pyramids. There are a spread of Tc–Cl bond distances ranging from 2.25–2.71 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Tc3+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Tc3+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Tc3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TcCl3 by Materials Project

TcCl3 is Aluminum trichloride structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one TcCl3 sheet oriented in the (0, 0, 1) direction. Tc3+ is bonded to six Cl1- atoms to form edge-sharing TcCl6 octahedra. There are a spread of Tc–Cl bond distances ranging from 2.33–2.46 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Tc3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Tc3+ atoms.

36 MATERIALS SCIENCE↗