U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2TaFeO6 by Materials Project
Abstract
Sr2FeTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–3.13 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 14–16°. All Ta–O bond lengths are 2.00 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 14–16°. All Fe–O bond lengths are 2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Ta5+, and one Fe3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Ta5+, and one Fe3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Ta5+, and one Fe3+ atom.
- Publication Date:
- Other Number(s):
- mp-31760
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Fe-O-Sr-Ta; Sr2TaFeO6; crystal structure
- OSTI Identifier:
- 1205887
- DOI:
- https://doi.org/10.17188/1205887
Citation Formats
Materials Data on Sr2TaFeO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205887.
Materials Data on Sr2TaFeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1205887
2020.
"Materials Data on Sr2TaFeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1205887. https://www.osti.gov/servlets/purl/1205887. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1205887,
title = {Materials Data on Sr2TaFeO6 by Materials Project},
abstractNote = {Sr2FeTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–3.13 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 14–16°. All Ta–O bond lengths are 2.00 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 14–16°. All Fe–O bond lengths are 2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Ta5+, and one Fe3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Ta5+, and one Fe3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Ta5+, and one Fe3+ atom.},
doi = {10.17188/1205887},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}