skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CrCl2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1199022· OSTI ID:1199022

CrCl2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Cl1- atoms to form a mixture of edge and corner-sharing CrCl6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are four shorter (2.38 Å) and two longer (3.07 Å) Cr–Cl bond lengths. Cl1- is bonded in a 2-coordinate geometry to three equivalent Cr2+ 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:
1199022
Report Number(s):
mp-22857
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on Li2CrCl4 by Materials Project
Dataset · Mon Aug 03 00:00:00 EDT 2020 · OSTI ID:1199022

Materials Data on Rb6Mn2CrCl12 by Materials Project
Dataset · Sat Jan 12 00:00:00 EST 2019 · OSTI ID:1199022

Materials Data on Al2CrCl8 by Materials Project
Dataset · Thu Apr 30 00:00:00 EDT 2020 · OSTI ID:1199022