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Title: Materials Data on KCoCl3 by Materials Project

Abstract

KCoCl3 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 3.16–3.79 Å. Co2+ is bonded to six equivalent Cl1- atoms to form corner-sharing CoCl6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are three shorter (2.46 Å) and three longer (2.47 Å) Co–Cl bond lengths. Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and two equivalent Co2+ atoms.

Publication Date:
Other Number(s):
mp-1001793
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KCoCl3; Cl-Co-K
OSTI Identifier:
1273042
DOI:
10.17188/1273042

Citation Formats

The Materials Project. Materials Data on KCoCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273042.
The Materials Project. Materials Data on KCoCl3 by Materials Project. United States. doi:10.17188/1273042.
The Materials Project. 2020. "Materials Data on KCoCl3 by Materials Project". United States. doi:10.17188/1273042. https://www.osti.gov/servlets/purl/1273042. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1273042,
title = {Materials Data on KCoCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {KCoCl3 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 3.16–3.79 Å. Co2+ is bonded to six equivalent Cl1- atoms to form corner-sharing CoCl6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are three shorter (2.46 Å) and three longer (2.47 Å) Co–Cl bond lengths. Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and two equivalent Co2+ atoms.},
doi = {10.17188/1273042},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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