U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2HfO3 by Materials Project
Abstract
Cs2HfO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.12–3.51 Å. Hf4+ is bonded to five O2- atoms to form distorted edge-sharing HfO5 trigonal bipyramids. There are one shorter (1.92 Å) and four longer (2.09 Å) Hf–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to four equivalent Cs1+ and two equivalent Hf4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to six equivalent Cs1+ and one Hf4+ atom.
- Publication Date:
- Other Number(s):
- mp-1178405
- 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-Hf-O; Cs2HfO3; crystal structure
- OSTI Identifier:
- 1686654
- DOI:
- https://doi.org/10.17188/1686654
Citation Formats
Materials Data on Cs2HfO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1686654.
Materials Data on Cs2HfO3 by Materials Project. United States. doi:https://doi.org/10.17188/1686654
2020.
"Materials Data on Cs2HfO3 by Materials Project". United States. doi:https://doi.org/10.17188/1686654. https://www.osti.gov/servlets/purl/1686654. Pub date:Sat May 09 04:00:00 UTC 2020
@article{osti_1686654,
title = {Materials Data on Cs2HfO3 by Materials Project},
abstractNote = {Cs2HfO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.12–3.51 Å. Hf4+ is bonded to five O2- atoms to form distorted edge-sharing HfO5 trigonal bipyramids. There are one shorter (1.92 Å) and four longer (2.09 Å) Hf–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to four equivalent Cs1+ and two equivalent Hf4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to six equivalent Cs1+ and one Hf4+ atom.},
doi = {10.17188/1686654},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.