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Title: Materials Data on K2AgAuBr6 by Materials Project

Abstract

K2AuAgBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Br1- atoms to form KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, faces with four equivalent AuBr6 octahedra, and faces with four equivalent AgBr6 octahedra. All K–Br bond lengths are 3.83 Å. Au3+ is bonded to six equivalent Br1- atoms to form AuBr6 octahedra that share corners with six equivalent AgBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Br bond lengths are 2.69 Å. Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 octahedra that share corners with six equivalent AuBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Br bond lengths are 2.73 Å. Br1- is bonded to four equivalent K1+, one Au3+, and one Ag1+ atom to form a mixture of distorted edge, face, and corner-sharing BrK4AgAu octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Publication Date:
Other Number(s):
mp-1112101
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; K2AgAuBr6; Ag-Au-Br-K
OSTI Identifier:
1710347
DOI:
https://doi.org/10.17188/1710347

Citation Formats

The Materials Project. Materials Data on K2AgAuBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710347.
The Materials Project. Materials Data on K2AgAuBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1710347
The Materials Project. 2020. "Materials Data on K2AgAuBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1710347. https://www.osti.gov/servlets/purl/1710347. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1710347,
title = {Materials Data on K2AgAuBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2AuAgBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Br1- atoms to form KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, faces with four equivalent AuBr6 octahedra, and faces with four equivalent AgBr6 octahedra. All K–Br bond lengths are 3.83 Å. Au3+ is bonded to six equivalent Br1- atoms to form AuBr6 octahedra that share corners with six equivalent AgBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Br bond lengths are 2.69 Å. Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 octahedra that share corners with six equivalent AuBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Br bond lengths are 2.73 Å. Br1- is bonded to four equivalent K1+, one Au3+, and one Ag1+ atom to form a mixture of distorted edge, face, and corner-sharing BrK4AgAu octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1710347},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}