U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2U2O7 by Materials Project
Abstract
Cs2U2O7 crystallizes in the monoclinic C2/m 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 2.98–3.38 Å. U6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing UO6 octahedra. The corner-sharing octahedra tilt angles range from 0–32°. There are a spread of U–O bond distances ranging from 1.88–2.33 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one U6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent U6+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to four equivalent Cs1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms.
- Publication Date:
- Other Number(s):
- mp-548479
- 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; Cs-O-U; Cs2U2O7
- OSTI Identifier:
- 1267328
- DOI:
- https://doi.org/10.17188/1267328
Citation Formats
Materials Data on Cs2U2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267328.
Materials Data on Cs2U2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1267328
2020.
"Materials Data on Cs2U2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1267328. https://www.osti.gov/servlets/purl/1267328. Pub date:Wed Jul 15 20:00:00 EDT 2020
@article{osti_1267328,
title = {Materials Data on Cs2U2O7 by Materials Project},
abstractNote = {Cs2U2O7 crystallizes in the monoclinic C2/m 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 2.98–3.38 Å. U6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing UO6 octahedra. The corner-sharing octahedra tilt angles range from 0–32°. There are a spread of U–O bond distances ranging from 1.88–2.33 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one U6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent U6+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to four equivalent Cs1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms.},
doi = {10.17188/1267328},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}