U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2TeO3 by Materials Project
Abstract
Na2TeO3 is Krennerite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing NaO6 octahedra. The corner-sharing octahedra tilt angles range from 14–27°. There are a spread of Na–O bond distances ranging from 2.41–2.65 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing NaO6 octahedra. The corner-sharing octahedra tilt angles range from 14–27°. There are a spread of Na–O bond distances ranging from 2.42–2.65 Å. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. All Te–O bond lengths are 1.91 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and one Te4+ atom. In the second O2- site, O2- is bonded to five Na1+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing ONa5Te octahedra. The corner-sharing octahedra tilt angles range from 4–14°. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and onemore »
- Publication Date:
- Other Number(s):
- mp-541619
- 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; Na-O-Te; Na2TeO3; crystal structure
- OSTI Identifier:
- 1265187
- DOI:
- https://doi.org/10.17188/1265187
Citation Formats
Materials Data on Na2TeO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1265187.
Materials Data on Na2TeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1265187
2020.
"Materials Data on Na2TeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1265187. https://www.osti.gov/servlets/purl/1265187. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1265187,
title = {Materials Data on Na2TeO3 by Materials Project},
abstractNote = {Na2TeO3 is Krennerite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing NaO6 octahedra. The corner-sharing octahedra tilt angles range from 14–27°. There are a spread of Na–O bond distances ranging from 2.41–2.65 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing NaO6 octahedra. The corner-sharing octahedra tilt angles range from 14–27°. There are a spread of Na–O bond distances ranging from 2.42–2.65 Å. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. All Te–O bond lengths are 1.91 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and one Te4+ atom. In the second O2- site, O2- is bonded to five Na1+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing ONa5Te octahedra. The corner-sharing octahedra tilt angles range from 4–14°. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one Te4+ atom.},
doi = {10.17188/1265187},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}