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Title: Materials Data on KAgBr3 by Materials Project

Abstract

KAgBr3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. There are three shorter (3.41 Å) and three longer (3.58 Å) K–Br bond lengths. Ag2+ is bonded to six equivalent Br1- atoms to form corner-sharing AgBr6 octahedra. The corner-sharing octahedral tilt angles are 18°. All Ag–Br bond lengths are 2.73 Å. Br1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Ag2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-998553
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; KAgBr3; Ag-Br-K
OSTI Identifier:
1317347
DOI:
https://doi.org/10.17188/1317347

Citation Formats

The Materials Project. Materials Data on KAgBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317347.
The Materials Project. Materials Data on KAgBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1317347
The Materials Project. 2020. "Materials Data on KAgBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1317347. https://www.osti.gov/servlets/purl/1317347. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1317347,
title = {Materials Data on KAgBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {KAgBr3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. There are three shorter (3.41 Å) and three longer (3.58 Å) K–Br bond lengths. Ag2+ is bonded to six equivalent Br1- atoms to form corner-sharing AgBr6 octahedra. The corner-sharing octahedral tilt angles are 18°. All Ag–Br bond lengths are 2.73 Å. Br1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Ag2+ atoms.},
doi = {10.17188/1317347},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}