Materials Data on TcCl4 by Materials Project

Dataset · Thu Apr 30 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1201961· OSTI ID:1201961

The 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.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1201961
• Report Number(s): mp-27780
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
TcCl4
Cl-Tc