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Title: Materials Data on KCdCl3O by Materials Project

Abstract

KCdOCl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to two equivalent O and seven Cl atoms. Both K–O bond lengths are 3.03 Å. There are a spread of K–Cl bond distances ranging from 3.11–3.60 Å. Cd is bonded to six Cl atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.56–2.76 Å. O is bonded in an L-shaped geometry to two equivalent K atoms. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 5-coordinate geometry to four equivalent K and one Cd atom. In the second Cl site, Cl is bonded to two equivalent K and two equivalent Cd atoms to form distorted corner-sharing ClK2Cd2 trigonal pyramids. In the third Cl site, Cl is bonded in a distorted rectangular see-saw-like geometry to one K and three equivalent Cd atoms.

Publication Date:
Other Number(s):
mp-1191077
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; KCdCl3O; Cd-Cl-K-O
OSTI Identifier:
1685444
DOI:
https://doi.org/10.17188/1685444

Citation Formats

The Materials Project. Materials Data on KCdCl3O by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685444.
The Materials Project. Materials Data on KCdCl3O by Materials Project. United States. doi:https://doi.org/10.17188/1685444
The Materials Project. 2019. "Materials Data on KCdCl3O by Materials Project". United States. doi:https://doi.org/10.17188/1685444. https://www.osti.gov/servlets/purl/1685444. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1685444,
title = {Materials Data on KCdCl3O by Materials Project},
author = {The Materials Project},
abstractNote = {KCdOCl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to two equivalent O and seven Cl atoms. Both K–O bond lengths are 3.03 Å. There are a spread of K–Cl bond distances ranging from 3.11–3.60 Å. Cd is bonded to six Cl atoms to form edge-sharing CdCl6 octahedra. There are a spread of Cd–Cl bond distances ranging from 2.56–2.76 Å. O is bonded in an L-shaped geometry to two equivalent K atoms. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 5-coordinate geometry to four equivalent K and one Cd atom. In the second Cl site, Cl is bonded to two equivalent K and two equivalent Cd atoms to form distorted corner-sharing ClK2Cd2 trigonal pyramids. In the third Cl site, Cl is bonded in a distorted rectangular see-saw-like geometry to one K and three equivalent Cd atoms.},
doi = {10.17188/1685444},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}