U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na(Mo2O3)2 by Materials Project
Abstract
NaMo4O6 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.97 Å. There are two inequivalent Mo+2.75+ sites. In the first Mo+2.75+ site, Mo+2.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.33 Å) and two longer (2.49 Å) Mo–O bond lengths. In the second Mo+2.75+ site, Mo+2.75+ is bonded to six O2- atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 2–37°. There are a spread of Mo–O bond distances ranging from 2.01–2.28 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Na1+ and four Mo+2.75+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Mo+2.75+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1180386
- 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; Na(Mo2O3)2; Mo-Na-O
- OSTI Identifier:
- 1714064
- DOI:
- https://doi.org/10.17188/1714064
Citation Formats
The Materials Project. Materials Data on Na(Mo2O3)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1714064.
The Materials Project. Materials Data on Na(Mo2O3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1714064
The Materials Project. 2019.
"Materials Data on Na(Mo2O3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1714064. https://www.osti.gov/servlets/purl/1714064. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1714064,
title = {Materials Data on Na(Mo2O3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaMo4O6 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.97 Å. There are two inequivalent Mo+2.75+ sites. In the first Mo+2.75+ site, Mo+2.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.33 Å) and two longer (2.49 Å) Mo–O bond lengths. In the second Mo+2.75+ site, Mo+2.75+ is bonded to six O2- atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedra tilt angles range from 2–37°. There are a spread of Mo–O bond distances ranging from 2.01–2.28 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Na1+ and four Mo+2.75+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Mo+2.75+ atoms.},
doi = {10.17188/1714064},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jan 11 00:00:00 EST 2019},
month = {Fri Jan 11 00:00:00 EST 2019}
}