U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2ErTaO6 by Materials Project
Abstract
Sr2ErTaO6 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 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.94 Å. Er3+ is bonded to six O2- atoms to form ErO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. All Er–O bond lengths are 2.24 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent ErO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. There are four shorter (2.01 Å) and two longer (2.02 Å) Ta–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Er3+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Er3+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Er3+, and one Ta5+ atom.
- Publication Date:
- Other Number(s):
- mp-1208927
- 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; crystal structure; Er-O-Sr-Ta; Sr2ErTaO6
- OSTI Identifier:
- 1663845
- DOI:
- https://doi.org/10.17188/1663845
Citation Formats
Materials Data on Sr2ErTaO6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1663845.
Materials Data on Sr2ErTaO6 by Materials Project. United States. doi:https://doi.org/10.17188/1663845
2019.
"Materials Data on Sr2ErTaO6 by Materials Project". United States. doi:https://doi.org/10.17188/1663845. https://www.osti.gov/servlets/purl/1663845. Pub date:Fri Jan 11 19:00:00 EST 2019
@article{osti_1663845,
title = {Materials Data on Sr2ErTaO6 by Materials Project},
abstractNote = {Sr2ErTaO6 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 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.94 Å. Er3+ is bonded to six O2- atoms to form ErO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. All Er–O bond lengths are 2.24 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent ErO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. There are four shorter (2.01 Å) and two longer (2.02 Å) Ta–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Er3+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Er3+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Er3+, and one Ta5+ atom.},
doi = {10.17188/1663845},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}