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Title: Materials Data on KAuO3 by Materials Project

Abstract

KAuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent AuO6 octahedra. All K–O bond lengths are 2.94 Å. Au5+ is bonded to six equivalent O2- atoms to form AuO6 octahedra that share corners with six equivalent AuO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–O bond lengths are 2.08 Å. O2- is bonded to four equivalent K1+ and two equivalent Au5+ atoms to form a mixture of distorted face, edge, and corner-sharing OK4Au2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:
Publication Date:
Other Number(s):
mp-1184942
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; KAuO3; Au-K-O
OSTI Identifier:
1744832
DOI:
https://doi.org/10.17188/1744832

Citation Formats

The Materials Project. Materials Data on KAuO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744832.
The Materials Project. Materials Data on KAuO3 by Materials Project. United States. doi:https://doi.org/10.17188/1744832
The Materials Project. 2020. "Materials Data on KAuO3 by Materials Project". United States. doi:https://doi.org/10.17188/1744832. https://www.osti.gov/servlets/purl/1744832. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744832,
title = {Materials Data on KAuO3 by Materials Project},
author = {The Materials Project},
abstractNote = {KAuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent AuO6 octahedra. All K–O bond lengths are 2.94 Å. Au5+ is bonded to six equivalent O2- atoms to form AuO6 octahedra that share corners with six equivalent AuO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–O bond lengths are 2.08 Å. O2- is bonded to four equivalent K1+ and two equivalent Au5+ atoms to form a mixture of distorted face, edge, and corner-sharing OK4Au2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1744832},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}