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Title: Materials Data on CsYbBr3 by Materials Project

Abstract

CsYbBr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with eight equivalent YbBr6 octahedra. All Cs–Br bond lengths are 4.06 Å. Yb2+ is bonded to six equivalent Br1- atoms to form YbBr6 octahedra that share corners with six equivalent YbBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–Br bond lengths are 2.87 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Yb2+ atoms.

Publication Date:
Other Number(s):
mp-568005
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; CsYbBr3; Br-Cs-Yb
OSTI Identifier:
1274174
DOI:
10.17188/1274174

Citation Formats

The Materials Project. Materials Data on CsYbBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274174.
The Materials Project. Materials Data on CsYbBr3 by Materials Project. United States. doi:10.17188/1274174.
The Materials Project. 2020. "Materials Data on CsYbBr3 by Materials Project". United States. doi:10.17188/1274174. https://www.osti.gov/servlets/purl/1274174. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1274174,
title = {Materials Data on CsYbBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsYbBr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with eight equivalent YbBr6 octahedra. All Cs–Br bond lengths are 4.06 Å. Yb2+ is bonded to six equivalent Br1- atoms to form YbBr6 octahedra that share corners with six equivalent YbBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–Br bond lengths are 2.87 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Yb2+ atoms.},
doi = {10.17188/1274174},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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