U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2LuNbO6 by Materials Project
Abstract
Sr2LuNbO6 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 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.19 Å. Lu3+ is bonded to six O2- atoms to form LuO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. All Lu–O bond lengths are 2.20 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent LuO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. All Nb–O bond lengths are 2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Lu3+, and one Nb5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Lu3+, and one Nb5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sr2+, one Lu3+, and one Nb5+ atom.
- Publication Date:
- Other Number(s):
- mp-1188959
- 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; Lu-Nb-O-Sr; Sr2LuNbO6; crystal structure
- OSTI Identifier:
- 1679019
- DOI:
- https://doi.org/10.17188/1679019
Citation Formats
Materials Data on Sr2LuNbO6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1679019.
Materials Data on Sr2LuNbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1679019
2019.
"Materials Data on Sr2LuNbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1679019. https://www.osti.gov/servlets/purl/1679019. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1679019,
title = {Materials Data on Sr2LuNbO6 by Materials Project},
abstractNote = {Sr2LuNbO6 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 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.19 Å. Lu3+ is bonded to six O2- atoms to form LuO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. All Lu–O bond lengths are 2.20 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent LuO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. All Nb–O bond lengths are 2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Lu3+, and one Nb5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Lu3+, and one Nb5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sr2+, one Lu3+, and one Nb5+ atom.},
doi = {10.17188/1679019},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}