U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nb2Cd2O7 by Materials Project
Abstract
Cd2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and edges with six equivalent CdO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 42°. All Nb–O bond lengths are 2.00 Å. Cd2+ is bonded to eight O2- atoms to form distorted CdO8 hexagonal bipyramids that share edges with six equivalent CdO8 hexagonal bipyramids and edges with six equivalent NbO6 octahedra. There are two shorter (2.29 Å) and six longer (2.68 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Cd2+ atoms to form corner-sharing OCd4 tetrahedra. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and two equivalent Cd2+ atoms.
- Publication Date:
- Other Number(s):
- mp-5472
- 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; Cd-Nb-O; Nb2Cd2O7; crystal structure
- OSTI Identifier:
- 1267269
- DOI:
- https://doi.org/10.17188/1267269
Citation Formats
Materials Data on Nb2Cd2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267269.
Materials Data on Nb2Cd2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1267269
2020.
"Materials Data on Nb2Cd2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1267269. https://www.osti.gov/servlets/purl/1267269. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1267269,
title = {Materials Data on Nb2Cd2O7 by Materials Project},
abstractNote = {Cd2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and edges with six equivalent CdO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 42°. All Nb–O bond lengths are 2.00 Å. Cd2+ is bonded to eight O2- atoms to form distorted CdO8 hexagonal bipyramids that share edges with six equivalent CdO8 hexagonal bipyramids and edges with six equivalent NbO6 octahedra. There are two shorter (2.29 Å) and six longer (2.68 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Cd2+ atoms to form corner-sharing OCd4 tetrahedra. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and two equivalent Cd2+ atoms.},
doi = {10.17188/1267269},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}