U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaBiO3 by Materials Project
Abstract
NaBiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with nine equivalent BiO6 octahedra, edges with three equivalent NaO6 octahedra, and a faceface with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 39–62°. There are three shorter (2.39 Å) and three longer (2.60 Å) Na–O bond lengths. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with nine equivalent NaO6 octahedra, edges with three equivalent BiO6 octahedra, and a faceface with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 39–62°. There are three shorter (2.14 Å) and three longer (2.18 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Na1+ and two equivalent Bi5+ atoms.
- Publication Date:
- Other Number(s):
- mp-23054
- 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; Bi-Na-O; crystal structure; NaBiO3
- OSTI Identifier:
- 1199199
- DOI:
- https://doi.org/10.17188/1199199
Citation Formats
Materials Data on NaBiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199199.
Materials Data on NaBiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1199199
2020.
"Materials Data on NaBiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1199199. https://www.osti.gov/servlets/purl/1199199. Pub date:Wed Jul 15 20:00:00 EDT 2020
@article{osti_1199199,
title = {Materials Data on NaBiO3 by Materials Project},
abstractNote = {NaBiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with nine equivalent BiO6 octahedra, edges with three equivalent NaO6 octahedra, and a faceface with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 39–62°. There are three shorter (2.39 Å) and three longer (2.60 Å) Na–O bond lengths. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with nine equivalent NaO6 octahedra, edges with three equivalent BiO6 octahedra, and a faceface with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 39–62°. There are three shorter (2.14 Å) and three longer (2.18 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Na1+ and two equivalent Bi5+ atoms.},
doi = {10.17188/1199199},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}