Materials Data on Sr2Ti2As2OF2 by Materials Project
Abstract
Sr2Ti2As2OF2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent F1- atoms. All Sr–As bond lengths are 3.33 Å. All Sr–F bond lengths are 2.49 Å. Ti3+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Ti–As bond lengths are 2.72 Å. Both Ti–O bond lengths are 2.03 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Ti3+ atoms. O2- is bonded in a square co-planar geometry to four equivalent Ti3+ atoms. F1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1079747
- 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; Sr2Ti2As2OF2; As-F-O-Sr-Ti
- OSTI Identifier:
- 1680522
- DOI:
- https://doi.org/10.17188/1680522
Citation Formats
The Materials Project. Materials Data on Sr2Ti2As2OF2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1680522.
The Materials Project. Materials Data on Sr2Ti2As2OF2 by Materials Project. United States. doi:https://doi.org/10.17188/1680522
The Materials Project. 2020.
"Materials Data on Sr2Ti2As2OF2 by Materials Project". United States. doi:https://doi.org/10.17188/1680522. https://www.osti.gov/servlets/purl/1680522. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1680522,
title = {Materials Data on Sr2Ti2As2OF2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2Ti2As2OF2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent F1- atoms. All Sr–As bond lengths are 3.33 Å. All Sr–F bond lengths are 2.49 Å. Ti3+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Ti–As bond lengths are 2.72 Å. Both Ti–O bond lengths are 2.03 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Ti3+ atoms. O2- is bonded in a square co-planar geometry to four equivalent Ti3+ atoms. F1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra.},
doi = {10.17188/1680522},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}
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