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Title: Materials Data on Cs2CeAgCl6 by Materials Project

Abstract

Cs2CeAgCl6 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 Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent CeCl6 octahedra, and faces with four equivalent AgCl6 octahedra. All Cs–Cl bond lengths are 3.91 Å. Ce3+ is bonded to six equivalent Cl1- atoms to form CeCl6 octahedra that share corners with six equivalent AgCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Cl bond lengths are 2.75 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent CeCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.77 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Ce3+, and one Ag1+ atom.

Publication Date:
Other Number(s):
mp-1113570
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; Cs2CeAgCl6; Ag-Ce-Cl-Cs
OSTI Identifier:
1722491
DOI:
https://doi.org/10.17188/1722491

Citation Formats

The Materials Project. Materials Data on Cs2CeAgCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1722491.
The Materials Project. Materials Data on Cs2CeAgCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1722491
The Materials Project. 2020. "Materials Data on Cs2CeAgCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1722491. https://www.osti.gov/servlets/purl/1722491. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1722491,
title = {Materials Data on Cs2CeAgCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2CeAgCl6 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 Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent CeCl6 octahedra, and faces with four equivalent AgCl6 octahedra. All Cs–Cl bond lengths are 3.91 Å. Ce3+ is bonded to six equivalent Cl1- atoms to form CeCl6 octahedra that share corners with six equivalent AgCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Cl bond lengths are 2.75 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent CeCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.77 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Ce3+, and one Ag1+ atom.},
doi = {10.17188/1722491},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}