U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na5OsO6 by Materials Project
Abstract
Na5OsO6 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent OsO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 18–22°. There are a spread of Na–O bond distances ranging from 2.35–2.41 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent OsO6 octahedra, corners with four equivalent NaO6 octahedra, edges with two equivalent OsO6 octahedra, and edges with ten NaO6 octahedra. The corner-sharing octahedra tilt angles range from 1–22°. There are a spread of Na–O bond distances ranging from 2.35–2.61 Å. In the third Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent OsO6 octahedra, corners with four equivalent NaO6 octahedra, edges with two equivalent OsO6 octahedra, and edges with ten NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are four shorter (2.31 Å)more »
- Publication Date:
- Other Number(s):
- mp-20067
- 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; Na-O-Os; Na5OsO6
- OSTI Identifier:
- 1195225
- DOI:
- https://doi.org/10.17188/1195225
Citation Formats
Materials Data on Na5OsO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195225.
Materials Data on Na5OsO6 by Materials Project. United States. doi:https://doi.org/10.17188/1195225
2020.
"Materials Data on Na5OsO6 by Materials Project". United States. doi:https://doi.org/10.17188/1195225. https://www.osti.gov/servlets/purl/1195225. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1195225,
title = {Materials Data on Na5OsO6 by Materials Project},
abstractNote = {Na5OsO6 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent OsO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 18–22°. There are a spread of Na–O bond distances ranging from 2.35–2.41 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent OsO6 octahedra, corners with four equivalent NaO6 octahedra, edges with two equivalent OsO6 octahedra, and edges with ten NaO6 octahedra. The corner-sharing octahedra tilt angles range from 1–22°. There are a spread of Na–O bond distances ranging from 2.35–2.61 Å. In the third Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent OsO6 octahedra, corners with four equivalent NaO6 octahedra, edges with two equivalent OsO6 octahedra, and edges with ten NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are four shorter (2.31 Å) and two longer (2.80 Å) Na–O bond lengths. Os7+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with six NaO6 octahedra and edges with twelve NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There is two shorter (1.90 Å) and four longer (1.94 Å) Os–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Os7+ atom. In the second O2- site, O2- is bonded to five Na1+ and one Os7+ atom to form a mixture of distorted corner and edge-sharing ONa5Os octahedra. The corner-sharing octahedra tilt angles range from 0–17°.},
doi = {10.17188/1195225},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}