U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb(WO3)3 by Materials Project
Abstract
Rb(WO3)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent O2- atoms to form RbO12 cuboctahedra that share edges with twelve equivalent WO6 octahedra and faces with two equivalent RbO12 cuboctahedra. All Rb–O bond lengths are 3.36 Å. W+5.67+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and edges with four equivalent RbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–31°. There are a spread of W–O bond distances ranging from 1.94–1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Rb1+ and two equivalent W+5.67+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W+5.67+ atoms.
- Publication Date:
- Other Number(s):
- mp-565431
- 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; O-Rb-W; Rb(WO3)3; crystal structure
- OSTI Identifier:
- 1272509
- DOI:
- https://doi.org/10.17188/1272509
Citation Formats
Materials Data on Rb(WO3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272509.
Materials Data on Rb(WO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1272509
2020.
"Materials Data on Rb(WO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1272509. https://www.osti.gov/servlets/purl/1272509. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1272509,
title = {Materials Data on Rb(WO3)3 by Materials Project},
abstractNote = {Rb(WO3)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent O2- atoms to form RbO12 cuboctahedra that share edges with twelve equivalent WO6 octahedra and faces with two equivalent RbO12 cuboctahedra. All Rb–O bond lengths are 3.36 Å. W+5.67+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and edges with four equivalent RbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–31°. There are a spread of W–O bond distances ranging from 1.94–1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Rb1+ and two equivalent W+5.67+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W+5.67+ atoms.},
doi = {10.17188/1272509},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}