U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrAlF5 by Materials Project
Abstract
SrAlF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.53–2.79 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.52–2.72 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 28–41°. There are a spread of Al–F bond distances ranging from 1.80–1.91 Å. In the second Al3+ site, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 28–41°. There are a spread of Al–F bond distances ranging from 1.79–1.86 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and two Al3+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two Sr2+ and onemore »
- Publication Date:
- Other Number(s):
- mp-16557
- 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-Sr; SrAlF5; crystal structure
- OSTI Identifier:
- 1192030
- DOI:
- https://doi.org/10.17188/1192030
Citation Formats
Materials Data on SrAlF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192030.
Materials Data on SrAlF5 by Materials Project. United States. doi:https://doi.org/10.17188/1192030
2020.
"Materials Data on SrAlF5 by Materials Project". United States. doi:https://doi.org/10.17188/1192030. https://www.osti.gov/servlets/purl/1192030. Pub date:Fri May 01 04:00:00 UTC 2020
@article{osti_1192030,
title = {Materials Data on SrAlF5 by Materials Project},
abstractNote = {SrAlF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.53–2.79 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.52–2.72 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 28–41°. There are a spread of Al–F bond distances ranging from 1.80–1.91 Å. In the second Al3+ site, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 28–41°. There are a spread of Al–F bond distances ranging from 1.79–1.86 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and two Al3+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two Sr2+ and one Al3+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to two Sr2+ and one Al3+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to two Sr2+ and one Al3+ atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to three Sr2+ and one Al3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to two Sr2+ and one Al3+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Al3+ atoms. In the eighth F1- site, F1- is bonded in a distorted single-bond geometry to two Sr2+ and one Al3+ atom. In the ninth F1- site, F1- is bonded in a 1-coordinate geometry to two Sr2+ and one Al3+ atom. In the tenth F1- site, F1- is bonded in a 1-coordinate geometry to two Sr2+ and one Al3+ atom.},
doi = {10.17188/1192030},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}