U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaSb5O12 by Materials Project
Abstract
LaSb5O12 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share faces with six equivalent SbO6 octahedra. There are six shorter (2.70 Å) and six longer (2.74 Å) La–O bond lengths. There are two inequivalent Sb+4.20+ sites. In the first Sb+4.20+ site, Sb+4.20+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent SbO6 octahedra and faces with two equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. All Sb–O bond lengths are 2.01 Å. In the second Sb+4.20+ site, Sb+4.20+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Sb+4.20+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two equivalent Sb+4.20+ atoms.
- Publication Date:
- Other Number(s):
- mp-31419
- 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; La-O-Sb; LaSb5O12
- OSTI Identifier:
- 1205644
- DOI:
- https://doi.org/10.17188/1205644
Citation Formats
Materials Data on LaSb5O12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205644.
Materials Data on LaSb5O12 by Materials Project. United States. doi:https://doi.org/10.17188/1205644
2020.
"Materials Data on LaSb5O12 by Materials Project". United States. doi:https://doi.org/10.17188/1205644. https://www.osti.gov/servlets/purl/1205644. Pub date:Fri May 08 20:00:00 EDT 2020
@article{osti_1205644,
title = {Materials Data on LaSb5O12 by Materials Project},
abstractNote = {LaSb5O12 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share faces with six equivalent SbO6 octahedra. There are six shorter (2.70 Å) and six longer (2.74 Å) La–O bond lengths. There are two inequivalent Sb+4.20+ sites. In the first Sb+4.20+ site, Sb+4.20+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent SbO6 octahedra and faces with two equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. All Sb–O bond lengths are 2.01 Å. In the second Sb+4.20+ site, Sb+4.20+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Sb+4.20+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two equivalent Sb+4.20+ atoms.},
doi = {10.17188/1205644},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}