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Title: Materials Data on CsYbCl3 by Materials Project

Abstract

CsYbCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-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, and faces with eight equivalent YbCl6 octahedra. All Cs–Cl bond lengths are 3.84 Å. Yb2+ is bonded to six equivalent Cl1- atoms to form YbCl6 octahedra that share corners with six equivalent YbCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–Cl bond lengths are 2.71 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Yb2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1070599
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; CsYbCl3; Cl-Cs-Yb
OSTI Identifier:
1676356
DOI:
https://doi.org/10.17188/1676356

Citation Formats

The Materials Project. Materials Data on CsYbCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676356.
The Materials Project. Materials Data on CsYbCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1676356
The Materials Project. 2020. "Materials Data on CsYbCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1676356. https://www.osti.gov/servlets/purl/1676356. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1676356,
title = {Materials Data on CsYbCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsYbCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-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, and faces with eight equivalent YbCl6 octahedra. All Cs–Cl bond lengths are 3.84 Å. Yb2+ is bonded to six equivalent Cl1- atoms to form YbCl6 octahedra that share corners with six equivalent YbCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–Cl bond lengths are 2.71 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Yb2+ atoms.},
doi = {10.17188/1676356},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}