U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbAlPdF6 by Materials Project
Abstract
RbPdAlF6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Rb–F bond distances ranging from 2.84–3.14 Å. Pd2+ is bonded to six F1- atoms to form PdF6 octahedra that share corners with two equivalent PdF6 octahedra and corners with four equivalent AlF6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Pd–F bond distances ranging from 2.16–2.25 Å. Al3+ is bonded to six F1- atoms to form AlF6 octahedra that share corners with two equivalent AlF6 octahedra and corners with four equivalent PdF6 octahedra. The corner-sharing octahedra tilt angles range from 17–54°. There is two shorter (1.82 Å) and four longer (1.83 Å) Al–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Rb1+, one Pd2+, and one Al3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Pd2+, and one Al3+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent Pd2+ atoms.more »
- Publication Date:
- Other Number(s):
- mp-18453
- 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; Al-F-Pd-Rb; RbAlPdF6; crystal structure
- OSTI Identifier:
- 1193114
- DOI:
- https://doi.org/10.17188/1193114
Citation Formats
Materials Data on RbAlPdF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193114.
Materials Data on RbAlPdF6 by Materials Project. United States. doi:https://doi.org/10.17188/1193114
2020.
"Materials Data on RbAlPdF6 by Materials Project". United States. doi:https://doi.org/10.17188/1193114. https://www.osti.gov/servlets/purl/1193114. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1193114,
title = {Materials Data on RbAlPdF6 by Materials Project},
abstractNote = {RbPdAlF6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Rb–F bond distances ranging from 2.84–3.14 Å. Pd2+ is bonded to six F1- atoms to form PdF6 octahedra that share corners with two equivalent PdF6 octahedra and corners with four equivalent AlF6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Pd–F bond distances ranging from 2.16–2.25 Å. Al3+ is bonded to six F1- atoms to form AlF6 octahedra that share corners with two equivalent AlF6 octahedra and corners with four equivalent PdF6 octahedra. The corner-sharing octahedra tilt angles range from 17–54°. There is two shorter (1.82 Å) and four longer (1.83 Å) Al–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Rb1+, one Pd2+, and one Al3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Pd2+, and one Al3+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent Pd2+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms.},
doi = {10.17188/1193114},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}