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 3.05 Å. There are two inequivalent Mo+2.75+ sites. In the first Mo+2.75+ site, Mo+2.75+ is bonded in a see-saw-like geometry to four O2- atoms. There are two shorter (2.05 Å) and two longer (2.12 Å) Mo–O bond lengths. In the second Mo+2.75+ site, Mo+2.75+ is bonded to five O2- atoms to form edge-sharing MoO5 square pyramids. There are one shorter (2.03 Å) and four longer (2.15 Å) Mo–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Mo+2.75+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Mo+2.75+ atoms.
- Publication Date:
- Other Number(s):
- mp-1191832
- 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; Mo-Na-O; Na(Mo2O3)2; crystal structure
- OSTI Identifier:
- 1711593
- DOI:
- https://doi.org/10.17188/1711593
Citation Formats
Materials Data on Na(Mo2O3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711593.
Materials Data on Na(Mo2O3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1711593
2020.
"Materials Data on Na(Mo2O3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1711593. https://www.osti.gov/servlets/purl/1711593. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1711593,
title = {Materials Data on Na(Mo2O3)2 by 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 3.05 Å. There are two inequivalent Mo+2.75+ sites. In the first Mo+2.75+ site, Mo+2.75+ is bonded in a see-saw-like geometry to four O2- atoms. There are two shorter (2.05 Å) and two longer (2.12 Å) Mo–O bond lengths. In the second Mo+2.75+ site, Mo+2.75+ is bonded to five O2- atoms to form edge-sharing MoO5 square pyramids. There are one shorter (2.03 Å) and four longer (2.15 Å) Mo–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Mo+2.75+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Mo+2.75+ atoms.},
doi = {10.17188/1711593},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}