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Title: Materials Data on K4CdCl6 by Materials Project

Abstract

K4CdCl6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. All K–Cl bond lengths are 3.13 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.28–3.46 Å. Cd2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Cd–Cl bond lengths are 2.68 Å. Cl1- is bonded to five K1+ and one Cd2+ atom to form a mixture of distorted corner, edge, and face-sharing ClK5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–65°.

Authors:
Publication Date:
Other Number(s):
mp-23392
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; K4CdCl6; Cd-Cl-K
OSTI Identifier:
1199475
DOI:
https://doi.org/10.17188/1199475

Citation Formats

The Materials Project. Materials Data on K4CdCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199475.
The Materials Project. Materials Data on K4CdCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1199475
The Materials Project. 2020. "Materials Data on K4CdCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1199475. https://www.osti.gov/servlets/purl/1199475. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1199475,
title = {Materials Data on K4CdCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {K4CdCl6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. All K–Cl bond lengths are 3.13 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.28–3.46 Å. Cd2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Cd–Cl bond lengths are 2.68 Å. Cl1- is bonded to five K1+ and one Cd2+ atom to form a mixture of distorted corner, edge, and face-sharing ClK5Cd octahedra. The corner-sharing octahedra tilt angles range from 0–65°.},
doi = {10.17188/1199475},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}