Materials Data on TiCl3 by Materials Project

Dataset · Tue Jul 14 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1273810· OSTI ID:1273810

The Materials Project

TiCl3 is Chromium trichloride-like structured and crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two TiCl3 sheets oriented in the (0, 0, 1) direction. Ti3+ is bonded to six equivalent Cl1- atoms to form edge-sharing TiCl6 octahedra. All Ti–Cl bond lengths are 2.43 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Ti3+ 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: 1273810
• Report Number(s): mp-567330
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
TiCl3
Cl-Ti