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Title: Materials Data on SrAl(OF2)2 by Materials Project

Abstract

SrAl(OF2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to two equivalent O and six F atoms. There are one shorter (2.69 Å) and one longer (2.71 Å) Sr–O bond lengths. There are a spread of Sr–F bond distances ranging from 2.44–2.67 Å. Al is bonded in a 6-coordinate geometry to two equivalent O and four F atoms. There are one shorter (1.96 Å) and one longer (2.09 Å) Al–O bond lengths. There are a spread of Al–F bond distances ranging from 1.73–1.83 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two equivalent Al and one O atom. The O–O bond length is 1.44 Å. 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 distorted bent 150 degrees geometry to one Sr and one Al atom. In the second F site, F is bonded in a distorted trigonal planar geometry to two equivalent Sr and one Al atom. In the third Fmore » site, F is bonded in a distorted bent 120 degrees geometry to one 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.« less

Authors:
Publication Date:
Other Number(s):
mp-1198190
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:
1689125
DOI:
https://doi.org/10.17188/1689125

Citation Formats

The Materials Project. Materials Data on SrAl(OF2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689125.
The Materials Project. Materials Data on SrAl(OF2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1689125
The Materials Project. 2020. "Materials Data on SrAl(OF2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1689125. https://www.osti.gov/servlets/purl/1689125. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1689125,
title = {Materials Data on SrAl(OF2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrAl(OF2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to two equivalent O and six F atoms. There are one shorter (2.69 Å) and one longer (2.71 Å) Sr–O bond lengths. There are a spread of Sr–F bond distances ranging from 2.44–2.67 Å. Al is bonded in a 6-coordinate geometry to two equivalent O and four F atoms. There are one shorter (1.96 Å) and one longer (2.09 Å) Al–O bond lengths. There are a spread of Al–F bond distances ranging from 1.73–1.83 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two equivalent Al and one O atom. The O–O bond length is 1.44 Å. 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 distorted bent 150 degrees geometry to one Sr and one Al atom. In the second F site, F is bonded in a distorted trigonal planar geometry to two equivalent Sr and one Al atom. In the third F site, F is bonded in a distorted bent 120 degrees geometry to one 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 = {10.17188/1689125},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}