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Title: Materials Data on KAgCl3 by Materials Project

Abstract

KAgCl3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine equivalent Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.28–3.78 Å. Ag2+ is bonded to six equivalent Cl1- atoms to form corner-sharing AgCl6 octahedra. The corner-sharing octahedral tilt angles are 16°. All Ag–Cl bond lengths are 2.58 Å. Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Ag2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-998750
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; KAgCl3; Ag-Cl-K
OSTI Identifier:
1317390
DOI:
https://doi.org/10.17188/1317390

Citation Formats

The Materials Project. Materials Data on KAgCl3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1317390.
The Materials Project. Materials Data on KAgCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1317390
The Materials Project. 2017. "Materials Data on KAgCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1317390. https://www.osti.gov/servlets/purl/1317390. Pub date:Tue May 09 00:00:00 EDT 2017
@article{osti_1317390,
title = {Materials Data on KAgCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {KAgCl3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine equivalent Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.28–3.78 Å. Ag2+ is bonded to six equivalent Cl1- atoms to form corner-sharing AgCl6 octahedra. The corner-sharing octahedral tilt angles are 16°. All Ag–Cl bond lengths are 2.58 Å. Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Ag2+ atoms.},
doi = {10.17188/1317390},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}