U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce4Re6O19 by Materials Project
Abstract
Ce4Re6O19 crystallizes in the cubic I23 space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.44–2.54 Å. Re+4.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Re–O bond distances ranging from 1.99–2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and two equivalent Re+4.33+ atoms. In the second O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Ce3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ce3+ and two equivalent Re+4.33+ atoms.
- Publication Date:
- Other Number(s):
- mp-1213901
- 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; Ce-O-Re; Ce4Re6O19; crystal structure
- OSTI Identifier:
- 1758500
- DOI:
- https://doi.org/10.17188/1758500
Citation Formats
Materials Data on Ce4Re6O19 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1758500.
Materials Data on Ce4Re6O19 by Materials Project. United States. doi:https://doi.org/10.17188/1758500
2020.
"Materials Data on Ce4Re6O19 by Materials Project". United States. doi:https://doi.org/10.17188/1758500. https://www.osti.gov/servlets/purl/1758500. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758500,
title = {Materials Data on Ce4Re6O19 by Materials Project},
abstractNote = {Ce4Re6O19 crystallizes in the cubic I23 space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.44–2.54 Å. Re+4.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Re–O bond distances ranging from 1.99–2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and two equivalent Re+4.33+ atoms. In the second O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Ce3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ce3+ and two equivalent Re+4.33+ atoms.},
doi = {10.17188/1758500},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}