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Title: Materials Data on Cs2KPrI6 by Materials Project

Abstract

Cs2KPrI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form distorted 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 PrI6 octahedra. All Cs–I bond lengths are 4.62 Å. K1+ is bonded to six equivalent I1- atoms to form KI6 octahedra that share corners with six equivalent PrI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–I bond lengths are 3.40 Å. Pr3+ is bonded to six equivalent I1- atoms to form PrI6 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 Pr–I bond lengths are 3.13 Å. I1- is bonded in a linear geometry to four equivalent Cs1+, one K1+, and one Pr3+ atom.

Publication Date:
Other Number(s):
mp-1113035
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; Cs2KPrI6; Cs-I-K-Pr
OSTI Identifier:
1759420
DOI:
https://doi.org/10.17188/1759420

Citation Formats

The Materials Project. Materials Data on Cs2KPrI6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759420.
The Materials Project. Materials Data on Cs2KPrI6 by Materials Project. United States. doi:https://doi.org/10.17188/1759420
The Materials Project. 2020. "Materials Data on Cs2KPrI6 by Materials Project". United States. doi:https://doi.org/10.17188/1759420. https://www.osti.gov/servlets/purl/1759420. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759420,
title = {Materials Data on Cs2KPrI6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2KPrI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form distorted 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 PrI6 octahedra. All Cs–I bond lengths are 4.62 Å. K1+ is bonded to six equivalent I1- atoms to form KI6 octahedra that share corners with six equivalent PrI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–I bond lengths are 3.40 Å. Pr3+ is bonded to six equivalent I1- atoms to form PrI6 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 Pr–I bond lengths are 3.13 Å. I1- is bonded in a linear geometry to four equivalent Cs1+, one K1+, and one Pr3+ atom.},
doi = {10.17188/1759420},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}