U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2YbH4 by Materials Project
Abstract
Cs2YbH4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Cs–H bond distances ranging from 3.13–3.27 Å. Yb2+ is bonded to six H1- atoms to form corner-sharing YbH6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.31 Å) and two longer (2.33 Å) Yb–H bond lengths. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Yb2+ atoms. In the second H1- site, H1- is bonded to five equivalent Cs1+ and one Yb2+ atom to form a mixture of distorted corner and edge-sharing HCs5Yb octahedra. The corner-sharing octahedra tilt angles range from 0–2°.
- Publication Date:
- Other Number(s):
- mp-1025273
- 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; Cs-H-Yb; Cs2YbH4; crystal structure
- OSTI Identifier:
- 1355443
- DOI:
- https://doi.org/10.17188/1355443
Citation Formats
Materials Data on Cs2YbH4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355443.
Materials Data on Cs2YbH4 by Materials Project. United States. doi:https://doi.org/10.17188/1355443
2020.
"Materials Data on Cs2YbH4 by Materials Project". United States. doi:https://doi.org/10.17188/1355443. https://www.osti.gov/servlets/purl/1355443. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1355443,
title = {Materials Data on Cs2YbH4 by Materials Project},
abstractNote = {Cs2YbH4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Cs–H bond distances ranging from 3.13–3.27 Å. Yb2+ is bonded to six H1- atoms to form corner-sharing YbH6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.31 Å) and two longer (2.33 Å) Yb–H bond lengths. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Yb2+ atoms. In the second H1- site, H1- is bonded to five equivalent Cs1+ and one Yb2+ atom to form a mixture of distorted corner and edge-sharing HCs5Yb octahedra. The corner-sharing octahedra tilt angles range from 0–2°.},
doi = {10.17188/1355443},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}