Materials Data on CrCl3 by Materials Project

Dataset · Thu Jul 23 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1275320· OSTI ID:1275320

The Materials Project

CrCl3 is Aluminum trichloride-like structured and crystallizes in the trigonal P3_212 space group. The structure is two-dimensional and consists of three CrCl3 sheets oriented in the (0, 0, 1) direction. Cr3+ is bonded to six Cl1- atoms to form edge-sharing CrCl6 octahedra. All Cr–Cl bond lengths are 2.36 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cr3+ 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: 1275320
• Report Number(s): mp-569890
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
CrCl3
Cl-Cr