U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on U2CoO6 by Materials Project
Abstract
CoU2O6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent U5+ sites. In the first U5+ site, U5+ is bonded to six O2- atoms to form UO6 octahedra that share corners with four equivalent CoO6 octahedra, corners with six equivalent UO6 octahedra, and an edgeedge with one CoO6 octahedra. The corner-sharing octahedra tilt angles range from 45–52°. There are a spread of U–O bond distances ranging from 2.13–2.19 Å. In the second U5+ site, U5+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with six equivalent UO6 octahedra, and edges with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 45–52°. There are a spread of U–O bond distances ranging from 2.11–2.19 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent UO6 octahedra and edges with three equivalent UO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Co–O bond lengths are 2.11 Å. In the second Co2+ site, Co2+ is bonded to sixmore »
- Publication Date:
- Other Number(s):
- mp-540842
- 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; Co-O-U; U2CoO6; crystal structure
- OSTI Identifier:
- 1264828
- DOI:
- https://doi.org/10.17188/1264828
Citation Formats
Materials Data on U2CoO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264828.
Materials Data on U2CoO6 by Materials Project. United States. doi:https://doi.org/10.17188/1264828
2020.
"Materials Data on U2CoO6 by Materials Project". United States. doi:https://doi.org/10.17188/1264828. https://www.osti.gov/servlets/purl/1264828. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1264828,
title = {Materials Data on U2CoO6 by Materials Project},
abstractNote = {CoU2O6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent U5+ sites. In the first U5+ site, U5+ is bonded to six O2- atoms to form UO6 octahedra that share corners with four equivalent CoO6 octahedra, corners with six equivalent UO6 octahedra, and an edgeedge with one CoO6 octahedra. The corner-sharing octahedra tilt angles range from 45–52°. There are a spread of U–O bond distances ranging from 2.13–2.19 Å. In the second U5+ site, U5+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with six equivalent UO6 octahedra, and edges with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 45–52°. There are a spread of U–O bond distances ranging from 2.11–2.19 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent UO6 octahedra and edges with three equivalent UO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Co–O bond lengths are 2.11 Å. In the second Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent UO6 octahedra and edges with three equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. All Co–O bond lengths are 2.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two U5+ and one Co2+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two U5+ and one Co2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two U5+ and one Co2+ atom.},
doi = {10.17188/1264828},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}