U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbAlF4 by Materials Project
Abstract
RbAlF4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted body-centered cubic geometry to eight equivalent F1- atoms. There are four shorter (2.94 Å) and four longer (3.01 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. There are four shorter (2.96 Å) and four longer (2.99 Å) Rb–F bond lengths. Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 15–18°. There are a spread of Al–F bond distances ranging from 1.78–1.87 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to four Rb1+ and one Al3+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Al3+ atoms.
- Publication Date:
- Other Number(s):
- mp-4693
- 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-Rb; RbAlF4; crystal structure
- OSTI Identifier:
- 1208342
- DOI:
- https://doi.org/10.17188/1208342
Citation Formats
Materials Data on RbAlF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208342.
Materials Data on RbAlF4 by Materials Project. United States. doi:https://doi.org/10.17188/1208342
2020.
"Materials Data on RbAlF4 by Materials Project". United States. doi:https://doi.org/10.17188/1208342. https://www.osti.gov/servlets/purl/1208342. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1208342,
title = {Materials Data on RbAlF4 by Materials Project},
abstractNote = {RbAlF4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted body-centered cubic geometry to eight equivalent F1- atoms. There are four shorter (2.94 Å) and four longer (3.01 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. There are four shorter (2.96 Å) and four longer (2.99 Å) Rb–F bond lengths. Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 15–18°. There are a spread of Al–F bond distances ranging from 1.78–1.87 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to four Rb1+ and one Al3+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Al3+ atoms.},
doi = {10.17188/1208342},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}