U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2ZrO3 by Materials Project
Abstract
Cs2ZrO3 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 3.09–3.55 Å. Zr4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (1.94 Å) and four longer (2.13 Å) Zr–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to six equivalent Cs1+ and one Zr4+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to four equivalent Cs1+ and two equivalent Zr4+ atoms.
- Publication Date:
- Other Number(s):
- mp-8759
- 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-O-Zr; Cs2ZrO3; crystal structure
- OSTI Identifier:
- 1312693
- DOI:
- https://doi.org/10.17188/1312693
Citation Formats
Materials Data on Cs2ZrO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312693.
Materials Data on Cs2ZrO3 by Materials Project. United States. doi:https://doi.org/10.17188/1312693
2020.
"Materials Data on Cs2ZrO3 by Materials Project". United States. doi:https://doi.org/10.17188/1312693. https://www.osti.gov/servlets/purl/1312693. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1312693,
title = {Materials Data on Cs2ZrO3 by Materials Project},
abstractNote = {Cs2ZrO3 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 3.09–3.55 Å. Zr4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (1.94 Å) and four longer (2.13 Å) Zr–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to six equivalent Cs1+ and one Zr4+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to four equivalent Cs1+ and two equivalent Zr4+ atoms.},
doi = {10.17188/1312693},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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