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Title: Materials Data on Cs2KBiI6 by Materials Project

Abstract

Cs2KBiI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, faces with four equivalent KI6 octahedra, and faces with four equivalent BiI6 octahedra. All Cs–I bond lengths are 4.58 Å. K1+ is bonded to six equivalent I1- atoms to form KI6 octahedra that share corners with six equivalent BiI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–I bond lengths are 3.39 Å. Bi3+ is bonded to six equivalent I1- atoms to form BiI6 octahedra that share corners with six equivalent KI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–I bond lengths are 3.08 Å. I1- is bonded in a linear geometry to four equivalent Cs1+, one K1+, and one Bi3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1113055
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; Cs2KBiI6; Bi-Cs-I-K
OSTI Identifier:
1753312
DOI:
https://doi.org/10.17188/1753312

Citation Formats

The Materials Project. Materials Data on Cs2KBiI6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753312.
The Materials Project. Materials Data on Cs2KBiI6 by Materials Project. United States. doi:https://doi.org/10.17188/1753312
The Materials Project. 2020. "Materials Data on Cs2KBiI6 by Materials Project". United States. doi:https://doi.org/10.17188/1753312. https://www.osti.gov/servlets/purl/1753312. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1753312,
title = {Materials Data on Cs2KBiI6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2KBiI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, faces with four equivalent KI6 octahedra, and faces with four equivalent BiI6 octahedra. All Cs–I bond lengths are 4.58 Å. K1+ is bonded to six equivalent I1- atoms to form KI6 octahedra that share corners with six equivalent BiI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–I bond lengths are 3.39 Å. Bi3+ is bonded to six equivalent I1- atoms to form BiI6 octahedra that share corners with six equivalent KI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–I bond lengths are 3.08 Å. I1- is bonded in a linear geometry to four equivalent Cs1+, one K1+, and one Bi3+ atom.},
doi = {10.17188/1753312},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}