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°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-6509
- 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; Sr3GaO4F; F-Ga-O-Sr
- OSTI Identifier:
- 1281005
- DOI:
- https://doi.org/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:https://doi.org/10.17188/1281005
The Materials Project. 2020.
"Materials Data on Sr3GaO4F by Materials Project". United States. doi:https://doi.org/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}
}