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Title: Materials Data on CsYbH3 by Materials Project

Abstract

CsYbH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent H1- atoms to form CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with eight equivalent YbH6 octahedra. All Cs–H bond lengths are 3.26 Å. Yb2+ is bonded to six equivalent H1- atoms to form YbH6 octahedra that share corners with six equivalent YbH6 octahedra and faces with eight equivalent CsH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–H bond lengths are 2.31 Å. H1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Yb2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1206323
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; CsYbH3; Cs-H-Yb
OSTI Identifier:
1674821
DOI:
https://doi.org/10.17188/1674821

Citation Formats

The Materials Project. Materials Data on CsYbH3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1674821.
The Materials Project. Materials Data on CsYbH3 by Materials Project. United States. doi:https://doi.org/10.17188/1674821
The Materials Project. 2020. "Materials Data on CsYbH3 by Materials Project". United States. doi:https://doi.org/10.17188/1674821. https://www.osti.gov/servlets/purl/1674821. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1674821,
title = {Materials Data on CsYbH3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsYbH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent H1- atoms to form CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with eight equivalent YbH6 octahedra. All Cs–H bond lengths are 3.26 Å. Yb2+ is bonded to six equivalent H1- atoms to form YbH6 octahedra that share corners with six equivalent YbH6 octahedra and faces with eight equivalent CsH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–H bond lengths are 2.31 Å. H1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Yb2+ atoms.},
doi = {10.17188/1674821},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}