U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Re2BiO6 by Materials Project
Abstract
BiRe2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Re+4.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 34–43°. There are a spread of Re–O bond distances ranging from 1.96–2.05 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.85 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Re+4.50+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Re+4.50+ and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Re+4.50+ and two equivalent Bi3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1188946
- 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-Re; Re2BiO6; crystal structure
- OSTI Identifier:
- 1680515
- DOI:
- https://doi.org/10.17188/1680515
Citation Formats
Materials Data on Re2BiO6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1680515.
Materials Data on Re2BiO6 by Materials Project. United States. doi:https://doi.org/10.17188/1680515
2019.
"Materials Data on Re2BiO6 by Materials Project". United States. doi:https://doi.org/10.17188/1680515. https://www.osti.gov/servlets/purl/1680515. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1680515,
title = {Materials Data on Re2BiO6 by Materials Project},
abstractNote = {BiRe2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Re+4.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 34–43°. There are a spread of Re–O bond distances ranging from 1.96–2.05 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.85 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Re+4.50+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Re+4.50+ and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Re+4.50+ and two equivalent Bi3+ atoms.},
doi = {10.17188/1680515},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}