U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La3Sb5O12 by Materials Project
Abstract
La3Sb5O12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.40 Å) and four longer (2.77 Å) La–O bond lengths. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.04 Å. In the second Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.27 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two Sb3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1211710
- 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; La-O-Sb; La3Sb5O12; crystal structure
- OSTI Identifier:
- 1699640
- DOI:
- https://doi.org/10.17188/1699640
Citation Formats
Materials Data on La3Sb5O12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699640.
Materials Data on La3Sb5O12 by Materials Project. United States. doi:https://doi.org/10.17188/1699640
2020.
"Materials Data on La3Sb5O12 by Materials Project". United States. doi:https://doi.org/10.17188/1699640. https://www.osti.gov/servlets/purl/1699640. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1699640,
title = {Materials Data on La3Sb5O12 by Materials Project},
abstractNote = {La3Sb5O12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.40 Å) and four longer (2.77 Å) La–O bond lengths. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.04 Å. In the second Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.27 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two Sb3+ atoms.},
doi = {10.17188/1699640},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}