U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YbNiH3 by Materials Project
Abstract
YbNiH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb2+ is bonded to twelve equivalent H1- atoms to form YbH12 cuboctahedra that share corners with twelve equivalent YbH12 cuboctahedra, faces with six equivalent YbH12 cuboctahedra, and faces with eight equivalent NiH6 octahedra. All Yb–H bond lengths are 2.45 Å. Ni1+ is bonded to six equivalent H1- atoms to form NiH6 octahedra that share corners with six equivalent NiH6 octahedra and faces with eight equivalent YbH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–H bond lengths are 1.74 Å. H1- is bonded to four equivalent Yb2+ and two equivalent Ni1+ atoms to form a mixture of face, edge, and corner-sharing HYb4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
- Publication Date:
- Other Number(s):
- mp-1018647
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; H-Ni-Yb; YbNiH3
- OSTI Identifier:
- 1350461
- DOI:
- https://doi.org/10.17188/1350461
Citation Formats
Materials Data on YbNiH3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350461.
Materials Data on YbNiH3 by Materials Project. United States. doi:https://doi.org/10.17188/1350461
2020.
"Materials Data on YbNiH3 by Materials Project". United States. doi:https://doi.org/10.17188/1350461. https://www.osti.gov/servlets/purl/1350461. Pub date:Wed Jul 15 20:00:00 EDT 2020
@article{osti_1350461,
title = {Materials Data on YbNiH3 by Materials Project},
abstractNote = {YbNiH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb2+ is bonded to twelve equivalent H1- atoms to form YbH12 cuboctahedra that share corners with twelve equivalent YbH12 cuboctahedra, faces with six equivalent YbH12 cuboctahedra, and faces with eight equivalent NiH6 octahedra. All Yb–H bond lengths are 2.45 Å. Ni1+ is bonded to six equivalent H1- atoms to form NiH6 octahedra that share corners with six equivalent NiH6 octahedra and faces with eight equivalent YbH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–H bond lengths are 1.74 Å. H1- is bonded to four equivalent Yb2+ and two equivalent Ni1+ atoms to form a mixture of face, edge, and corner-sharing HYb4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1350461},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}