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Title: Materials Data on Sr3GaO4F by Materials Project

Abstract

Sr3GaO4F crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to six equivalent O2- and two equivalent F1- atoms. There are two shorter (2.44 Å) and four longer (2.72 Å) Sr–O bond lengths. Both Sr–F bond lengths are 2.55 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted q6 geometry to eight equivalent O2- and two equivalent F1- atoms. All Sr–O bond lengths are 2.89 Å. Both Sr–F bond lengths are 2.87 Å. Ga3+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Ga–O bond lengths are 1.88 Å. O2- is bonded in a 6-coordinate geometry to five Sr2+ and one Ga3+ atom. F1- is bonded to six Sr2+ atoms to form corner-sharing FSr6 octahedra. The corner-sharing octahedra tilt angles range from 0–37°.

Publication Date:
Other Number(s):
mp-6509
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr3GaO4F; F-Ga-O-Sr
OSTI Identifier:
1281005
DOI:
10.17188/1281005

Citation Formats

The Materials Project. Materials Data on Sr3GaO4F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281005.
The Materials Project. Materials Data on Sr3GaO4F by Materials Project. United States. doi:10.17188/1281005.
The Materials Project. 2020. "Materials Data on Sr3GaO4F by Materials Project". United States. doi:10.17188/1281005. https://www.osti.gov/servlets/purl/1281005. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1281005,
title = {Materials Data on Sr3GaO4F by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3GaO4F crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to six equivalent O2- and two equivalent F1- atoms. There are two shorter (2.44 Å) and four longer (2.72 Å) Sr–O bond lengths. Both Sr–F bond lengths are 2.55 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted q6 geometry to eight equivalent O2- and two equivalent F1- atoms. All Sr–O bond lengths are 2.89 Å. Both Sr–F bond lengths are 2.87 Å. Ga3+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Ga–O bond lengths are 1.88 Å. O2- is bonded in a 6-coordinate geometry to five Sr2+ and one Ga3+ atom. F1- is bonded to six Sr2+ atoms to form corner-sharing FSr6 octahedra. The corner-sharing octahedra tilt angles range from 0–37°.},
doi = {10.17188/1281005},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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