U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaSbO3 by Materials Project
Abstract
NaSbO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–3.02 Å. In the second Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.48–2.61 Å. In the third Na1+ site, Na1+ is bonded in a 2-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–3.07 Å. In the fourth Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are four shorter (2.50 Å) and two longer (2.56 Å) Na–O bond lengths. There are three inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 54–57°. There are a spread of Sb–O bond distances ranging from 2.00–2.04 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixturemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-760994
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; NaSbO3; Na-O-Sb
- OSTI Identifier:
- 1291730
- DOI:
- https://doi.org/10.17188/1291730
Citation Formats
The Materials Project. Materials Data on NaSbO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1291730.
The Materials Project. Materials Data on NaSbO3 by Materials Project. United States. doi:https://doi.org/10.17188/1291730
The Materials Project. 2020.
"Materials Data on NaSbO3 by Materials Project". United States. doi:https://doi.org/10.17188/1291730. https://www.osti.gov/servlets/purl/1291730. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1291730,
title = {Materials Data on NaSbO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaSbO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–3.02 Å. In the second Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.48–2.61 Å. In the third Na1+ site, Na1+ is bonded in a 2-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–3.07 Å. In the fourth Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are four shorter (2.50 Å) and two longer (2.56 Å) Na–O bond lengths. There are three inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 54–57°. There are a spread of Sb–O bond distances ranging from 2.00–2.04 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 55–56°. There are a spread of Sb–O bond distances ranging from 1.99–2.03 Å. In the third Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 54–57°. There are a spread of Sb–O bond distances ranging from 1.99–2.03 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+ and two Sb5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+ and two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded to two Na1+ and two Sb5+ atoms to form a mixture of distorted edge and corner-sharing ONa2Sb2 tetrahedra. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Na1+ and two Sb5+ atoms. In the sixth O2- site, O2- is bonded to two Na1+ and two Sb5+ atoms to form distorted corner-sharing ONa2Sb2 tetrahedra. In the seventh O2- site, O2- is bonded to two Na1+ and two Sb5+ atoms to form a mixture of edge and corner-sharing ONa2Sb2 tetrahedra. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to two Na1+ and two equivalent Sb5+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+ and two equivalent Sb5+ atoms.},
doi = {10.17188/1291730},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}