U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on UNb4O12 by Materials Project
Abstract
UNb4O2(O2)5 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of six O2 sheets oriented in the (0, 0, 1) direction and two UNb4O2 sheets oriented in the (0, 0, 1) direction. In two of the O2 sheets, O2- is bonded in a square co-planar geometry to four equivalent O2- atoms. All O–O bond lengths are 2.96 Å. In four of the O2 sheets, O2- is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. There are two shorter (1.49 Å) and two longer (2.70 Å) O–O bond lengths. In each UNb4O2 sheet, U4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All U–O bond lengths are 2.10 Å. Nb5+ is bonded in a single-bond geometry to one O2- atom. The Nb–O bond length is 2.16 Å. O2- is bonded in a square co-planar geometry to two equivalent U4+ and two equivalent Nb5+ atoms.
- Publication Date:
- Other Number(s):
- mp-1100959
- 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; Nb-O-U; UNb4O12; crystal structure
- OSTI Identifier:
- 1674900
- DOI:
- https://doi.org/10.17188/1674900
Citation Formats
Materials Data on UNb4O12 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1674900.
Materials Data on UNb4O12 by Materials Project. United States. doi:https://doi.org/10.17188/1674900
2018.
"Materials Data on UNb4O12 by Materials Project". United States. doi:https://doi.org/10.17188/1674900. https://www.osti.gov/servlets/purl/1674900. Pub date:Sat Jul 14 00:00:00 EDT 2018
@article{osti_1674900,
title = {Materials Data on UNb4O12 by Materials Project},
abstractNote = {UNb4O2(O2)5 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of six O2 sheets oriented in the (0, 0, 1) direction and two UNb4O2 sheets oriented in the (0, 0, 1) direction. In two of the O2 sheets, O2- is bonded in a square co-planar geometry to four equivalent O2- atoms. All O–O bond lengths are 2.96 Å. In four of the O2 sheets, O2- is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. There are two shorter (1.49 Å) and two longer (2.70 Å) O–O bond lengths. In each UNb4O2 sheet, U4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All U–O bond lengths are 2.10 Å. Nb5+ is bonded in a single-bond geometry to one O2- atom. The Nb–O bond length is 2.16 Å. O2- is bonded in a square co-planar geometry to two equivalent U4+ and two equivalent Nb5+ atoms.},
doi = {10.17188/1674900},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}