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Title: Materials Data on KCrCl3 by Materials Project

Abstract

KCrCl3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve equivalent Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.21–3.84 Å. Cr2+ is bonded to six equivalent Cl1- atoms to form corner-sharing CrCl6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Cr–Cl bond lengths are 2.50 Å. Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and two equivalent Cr2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-998397
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KCrCl3; Cl-Cr-K
OSTI Identifier:
1317317
DOI:
https://doi.org/10.17188/1317317

Citation Formats

The Materials Project. Materials Data on KCrCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317317.
The Materials Project. Materials Data on KCrCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1317317
The Materials Project. 2020. "Materials Data on KCrCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1317317. https://www.osti.gov/servlets/purl/1317317. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1317317,
title = {Materials Data on KCrCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {KCrCl3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve equivalent Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.21–3.84 Å. Cr2+ is bonded to six equivalent Cl1- atoms to form corner-sharing CrCl6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Cr–Cl bond lengths are 2.50 Å. Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and two equivalent Cr2+ atoms.},
doi = {10.17188/1317317},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}