U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KNa5TeO6 by Materials Project
Abstract
KNa5TeO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.75–2.79 Å. There are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.33 Å. In the second Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.32 Å) and two longer (2.34 Å) Na–O bond lengths. In the third Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.36 Å) and two longer (2.40 Å) Na–O bond lengths. In the fourth Na1+ site, Na1+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.33 Å) and two longer (2.34 Å) Na–O bond lengths. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.98–2.02 Å. There are three inequivalent O2- sites. In the first O2-more »
- Publication Date:
- Other Number(s):
- mp-1223392
- 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; K-Na-O-Te; KNa5TeO6; crystal structure
- OSTI Identifier:
- 1711635
- DOI:
- https://doi.org/10.17188/1711635
Citation Formats
Materials Data on KNa5TeO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711635.
Materials Data on KNa5TeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1711635
2020.
"Materials Data on KNa5TeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1711635. https://www.osti.gov/servlets/purl/1711635. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1711635,
title = {Materials Data on KNa5TeO6 by Materials Project},
abstractNote = {KNa5TeO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.75–2.79 Å. There are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.33 Å. In the second Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.32 Å) and two longer (2.34 Å) Na–O bond lengths. In the third Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.36 Å) and two longer (2.40 Å) Na–O bond lengths. In the fourth Na1+ site, Na1+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.33 Å) and two longer (2.34 Å) Na–O bond lengths. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.98–2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one K1+, four Na1+, and one Te6+ atom to form distorted OKNa4Te octahedra that share corners with five equivalent OKNa4Te octahedra, edges with three equivalent OKNa3Te square pyramids, and a faceface with one OKNa3Te square pyramid. The corner-sharing octahedra tilt angles range from 0–50°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one K1+, three Na1+, and one Te6+ atom. In the third O2- site, O2- is bonded to one K1+, three Na1+, and one Te6+ atom to form distorted OKNa3Te square pyramids that share corners with four equivalent OKNa3Te square pyramids, edges with three equivalent OKNa4Te octahedra, and a faceface with one OKNa4Te octahedra.},
doi = {10.17188/1711635},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}