U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsIO3 by Materials Project
Abstract
CsIO3 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Cs1+ is bonded to twelve O2- atoms to form a mixture of distorted face and corner-sharing CsO12 cuboctahedra. There are a spread of Cs–O bond distances ranging from 3.30–3.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one I5+ atom. The O–I bond length is 1.83 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one I5+ atom. The O–I bond length is 1.83 Å. I5+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms.
- Publication Date:
- Other Number(s):
- mp-28295
- 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-I-O; CsIO3; crystal structure
- OSTI Identifier:
- 1202424
- DOI:
- https://doi.org/10.17188/1202424
Citation Formats
Materials Data on CsIO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202424.
Materials Data on CsIO3 by Materials Project. United States. doi:https://doi.org/10.17188/1202424
2020.
"Materials Data on CsIO3 by Materials Project". United States. doi:https://doi.org/10.17188/1202424. https://www.osti.gov/servlets/purl/1202424. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1202424,
title = {Materials Data on CsIO3 by Materials Project},
abstractNote = {CsIO3 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Cs1+ is bonded to twelve O2- atoms to form a mixture of distorted face and corner-sharing CsO12 cuboctahedra. There are a spread of Cs–O bond distances ranging from 3.30–3.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one I5+ atom. The O–I bond length is 1.83 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one I5+ atom. The O–I bond length is 1.83 Å. I5+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms.},
doi = {10.17188/1202424},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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