U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrAl(OF2)2 by Materials Project
Abstract
SrAl(OF2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to two equivalent O and seven F atoms. There are one shorter (2.76 Å) and one longer (2.84 Å) Sr–O bond lengths. There are a spread of Sr–F bond distances ranging from 2.46–2.70 Å. Al is bonded to two equivalent O and four F atoms to form edge-sharing AlO2F4 octahedra. There is one shorter (1.95 Å) and one longer (1.98 Å) Al–O bond length. There are a spread of Al–F bond distances ranging from 1.75–1.82 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Al atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Sr atoms. There are four inequivalent F sites. In the first F site, F is bonded in a 1-coordinate geometry to two equivalent Sr and one Al atom. In the second F site, F is bonded in a distorted bent 150 degrees geometry to one Sr and one Al atom. In the third F site, F is bonded in a 1-coordinate geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199082
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; SrAl(OF2)2; Al-F-O-Sr
- OSTI Identifier:
- 1750086
- DOI:
- https://doi.org/10.17188/1750086
Citation Formats
The Materials Project. Materials Data on SrAl(OF2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1750086.
The Materials Project. Materials Data on SrAl(OF2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1750086
The Materials Project. 2020.
"Materials Data on SrAl(OF2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1750086. https://www.osti.gov/servlets/purl/1750086. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1750086,
title = {Materials Data on SrAl(OF2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrAl(OF2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to two equivalent O and seven F atoms. There are one shorter (2.76 Å) and one longer (2.84 Å) Sr–O bond lengths. There are a spread of Sr–F bond distances ranging from 2.46–2.70 Å. Al is bonded to two equivalent O and four F atoms to form edge-sharing AlO2F4 octahedra. There is one shorter (1.95 Å) and one longer (1.98 Å) Al–O bond length. There are a spread of Al–F bond distances ranging from 1.75–1.82 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Al atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Sr atoms. There are four inequivalent F sites. In the first F site, F is bonded in a 1-coordinate geometry to two equivalent Sr and one Al atom. In the second F site, F is bonded in a distorted bent 150 degrees geometry to one Sr and one Al atom. In the third F site, F is bonded in a 1-coordinate geometry to two equivalent Sr and one Al atom. In the fourth F site, F is bonded in a 1-coordinate geometry to two equivalent Sr and one Al atom.},
doi = {10.17188/1750086},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}