U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nb2Pb2O7 by Materials Project
Abstract
Pb2Nb2O7 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 PbO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. All Nb–O bond lengths are 2.03 Å. Pb2+ is bonded to eight O2- atoms to form distorted PbO8 hexagonal bipyramids that share edges with six equivalent PbO8 hexagonal bipyramids and edges with six equivalent NbO6 octahedra. There are two shorter (2.35 Å) and six longer (2.81 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pb2+ atoms to form corner-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ and two equivalent Pb2+ atoms.
- Publication Date:
- Other Number(s):
- mp-754711
- 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-Pb; Nb2Pb2O7; crystal structure
- OSTI Identifier:
- 1289528
- DOI:
- https://doi.org/10.17188/1289528
Citation Formats
Materials Data on Nb2Pb2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289528.
Materials Data on Nb2Pb2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1289528
2020.
"Materials Data on Nb2Pb2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1289528. https://www.osti.gov/servlets/purl/1289528. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1289528,
title = {Materials Data on Nb2Pb2O7 by Materials Project},
abstractNote = {Pb2Nb2O7 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 PbO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. All Nb–O bond lengths are 2.03 Å. Pb2+ is bonded to eight O2- atoms to form distorted PbO8 hexagonal bipyramids that share edges with six equivalent PbO8 hexagonal bipyramids and edges with six equivalent NbO6 octahedra. There are two shorter (2.35 Å) and six longer (2.81 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pb2+ atoms to form corner-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ and two equivalent Pb2+ atoms.},
doi = {10.17188/1289528},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}