U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Bi2Ru2O7 by Materials Project
Abstract
Bi2Ru2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ru4+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and edges with six equivalent BiO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. All Ru–O bond lengths are 2.01 Å. Bi3+ is bonded to eight O2- atoms to form distorted BiO8 hexagonal bipyramids that share edges with six equivalent BiO8 hexagonal bipyramids and edges with six equivalent RuO6 octahedra. There are two shorter (2.25 Å) and six longer (2.56 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Bi3+ atoms to form corner-sharing OBi4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ru4+ and two equivalent Bi3+ atoms.
- Publication Date:
- Other Number(s):
- mp-23445
- 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; Bi-O-Ru; Bi2Ru2O7; crystal structure
- OSTI Identifier:
- 1199516
- DOI:
- https://doi.org/10.17188/1199516
Citation Formats
Materials Data on Bi2Ru2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199516.
Materials Data on Bi2Ru2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1199516
2020.
"Materials Data on Bi2Ru2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1199516. https://www.osti.gov/servlets/purl/1199516. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1199516,
title = {Materials Data on Bi2Ru2O7 by Materials Project},
abstractNote = {Bi2Ru2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ru4+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and edges with six equivalent BiO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. All Ru–O bond lengths are 2.01 Å. Bi3+ is bonded to eight O2- atoms to form distorted BiO8 hexagonal bipyramids that share edges with six equivalent BiO8 hexagonal bipyramids and edges with six equivalent RuO6 octahedra. There are two shorter (2.25 Å) and six longer (2.56 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Bi3+ atoms to form corner-sharing OBi4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ru4+ and two equivalent Bi3+ atoms.},
doi = {10.17188/1199516},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}