U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nb3AgO8 by Materials Project
Abstract
AgNb3O8 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to seven O2- atoms to form distorted NbO7 pentagonal bipyramids that share corners with two equivalent NbO8 hexagonal bipyramids, corners with two equivalent NbO7 pentagonal bipyramids, edges with two equivalent NbO8 hexagonal bipyramids, and edges with two equivalent NbO7 pentagonal bipyramids. There are a spread of Nb–O bond distances ranging from 1.87–2.40 Å. In the second Nb5+ site, Nb5+ is bonded to eight O2- atoms to form distorted NbO8 hexagonal bipyramids that share corners with four equivalent NbO7 pentagonal bipyramids, edges with two equivalent NbO8 hexagonal bipyramids, and edges with four equivalent NbO7 pentagonal bipyramids. There are four shorter (2.11 Å) and four longer (2.12 Å) Nb–O bond lengths. Ag1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.49 Å) and four longer (2.79 Å) Ag–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Nb5+ and one Ag1+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry tomore »
- Publication Date:
- Other Number(s):
- mp-16837
- 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; Ag-Nb-O; Nb3AgO8; crystal structure
- OSTI Identifier:
- 1192198
- DOI:
- https://doi.org/10.17188/1192198
Citation Formats
Materials Data on Nb3AgO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192198.
Materials Data on Nb3AgO8 by Materials Project. United States. doi:https://doi.org/10.17188/1192198
2020.
"Materials Data on Nb3AgO8 by Materials Project". United States. doi:https://doi.org/10.17188/1192198. https://www.osti.gov/servlets/purl/1192198. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1192198,
title = {Materials Data on Nb3AgO8 by Materials Project},
abstractNote = {AgNb3O8 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to seven O2- atoms to form distorted NbO7 pentagonal bipyramids that share corners with two equivalent NbO8 hexagonal bipyramids, corners with two equivalent NbO7 pentagonal bipyramids, edges with two equivalent NbO8 hexagonal bipyramids, and edges with two equivalent NbO7 pentagonal bipyramids. There are a spread of Nb–O bond distances ranging from 1.87–2.40 Å. In the second Nb5+ site, Nb5+ is bonded to eight O2- atoms to form distorted NbO8 hexagonal bipyramids that share corners with four equivalent NbO7 pentagonal bipyramids, edges with two equivalent NbO8 hexagonal bipyramids, and edges with four equivalent NbO7 pentagonal bipyramids. There are four shorter (2.11 Å) and four longer (2.12 Å) Nb–O bond lengths. Ag1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.49 Å) and four longer (2.79 Å) Ag–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Nb5+ and one Ag1+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nb5+ and two equivalent Ag1+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Nb5+ atoms.},
doi = {10.17188/1192198},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}