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Title: Materials Data on KCdCl3 by Materials Project

Abstract

KCdCl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.28–3.54 Å. Cd2+ is bonded to six Cl1- atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.55–2.75 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one K1+ and three equivalent Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Cd2+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Cd2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-23442
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; KCdCl3; Cd-Cl-K
OSTI Identifier:
1199513
DOI:
https://doi.org/10.17188/1199513

Citation Formats

The Materials Project. Materials Data on KCdCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199513.
The Materials Project. Materials Data on KCdCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1199513
The Materials Project. 2020. "Materials Data on KCdCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1199513. https://www.osti.gov/servlets/purl/1199513. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199513,
title = {Materials Data on KCdCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {KCdCl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.28–3.54 Å. Cd2+ is bonded to six Cl1- atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.55–2.75 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one K1+ and three equivalent Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Cd2+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Cd2+ atom.},
doi = {10.17188/1199513},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}