U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb3RuF12 by Materials Project
Abstract
Rb3RuF12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to eight F atoms to form distorted edge-sharing RbF8 hexagonal bipyramids. There are four shorter (2.96 Å) and four longer (3.01 Å) Rb–F bond lengths. In the second Rb site, Rb is bonded to six F atoms to form edge-sharing RbF6 octahedra. There are a spread of Rb–F bond distances ranging from 2.73–2.93 Å. Ru is bonded in a square co-planar geometry to four equivalent F atoms. All Ru–F bond lengths are 1.90 Å. There are three inequivalent F sites. In the first F site, F is bonded in a 2-coordinate geometry to two Rb and one F atom. The F–F bond length is 1.82 Å. In the second F site, F is bonded in a 2-coordinate geometry to two Rb and one F atom. In the third F site, F is bonded in a distorted single-bond geometry to one Rb and one Ru atom.
- Publication Date:
- Other Number(s):
- mp-1210428
- 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; F-Rb-Ru; Rb3RuF12; crystal structure
- OSTI Identifier:
- 1706997
- DOI:
- https://doi.org/10.17188/1706997
Citation Formats
Materials Data on Rb3RuF12 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1706997.
Materials Data on Rb3RuF12 by Materials Project. United States. doi:https://doi.org/10.17188/1706997
2019.
"Materials Data on Rb3RuF12 by Materials Project". United States. doi:https://doi.org/10.17188/1706997. https://www.osti.gov/servlets/purl/1706997. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1706997,
title = {Materials Data on Rb3RuF12 by Materials Project},
abstractNote = {Rb3RuF12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to eight F atoms to form distorted edge-sharing RbF8 hexagonal bipyramids. There are four shorter (2.96 Å) and four longer (3.01 Å) Rb–F bond lengths. In the second Rb site, Rb is bonded to six F atoms to form edge-sharing RbF6 octahedra. There are a spread of Rb–F bond distances ranging from 2.73–2.93 Å. Ru is bonded in a square co-planar geometry to four equivalent F atoms. All Ru–F bond lengths are 1.90 Å. There are three inequivalent F sites. In the first F site, F is bonded in a 2-coordinate geometry to two Rb and one F atom. The F–F bond length is 1.82 Å. In the second F site, F is bonded in a 2-coordinate geometry to two Rb and one F atom. In the third F site, F is bonded in a distorted single-bond geometry to one Rb and one Ru atom.},
doi = {10.17188/1706997},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}