U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na(WO3)2 by Materials Project
Abstract
Na(WO3)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to twelve O2- atoms to form NaO12 cuboctahedra that share corners with four equivalent NaO12 cuboctahedra, faces with two equivalent NaO12 cuboctahedra, and faces with eight equivalent WO6 octahedra. There are eight shorter (2.64 Å) and four longer (2.94 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to twelve O2- atoms to form NaO12 cuboctahedra that share corners with four equivalent NaO12 cuboctahedra, faces with two equivalent NaO12 cuboctahedra, and faces with eight equivalent WO6 octahedra. There are four shorter (2.58 Å) and eight longer (2.82 Å) Na–O bond lengths. W+5.50+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and faces with four NaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 8–11°. All W–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and two equivalent W+5.50+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to twomore »
- Publication Date:
- Other Number(s):
- mp-1221440
- 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(WO3)2; Na-O-W; crystal structure
- OSTI Identifier:
- 1725200
- DOI:
- https://doi.org/10.17188/1725200
Citation Formats
Materials Data on Na(WO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1725200.
Materials Data on Na(WO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1725200
2020.
"Materials Data on Na(WO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1725200. https://www.osti.gov/servlets/purl/1725200. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1725200,
title = {Materials Data on Na(WO3)2 by Materials Project},
abstractNote = {Na(WO3)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to twelve O2- atoms to form NaO12 cuboctahedra that share corners with four equivalent NaO12 cuboctahedra, faces with two equivalent NaO12 cuboctahedra, and faces with eight equivalent WO6 octahedra. There are eight shorter (2.64 Å) and four longer (2.94 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to twelve O2- atoms to form NaO12 cuboctahedra that share corners with four equivalent NaO12 cuboctahedra, faces with two equivalent NaO12 cuboctahedra, and faces with eight equivalent WO6 octahedra. There are four shorter (2.58 Å) and eight longer (2.82 Å) Na–O bond lengths. W+5.50+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and faces with four NaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 8–11°. All W–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and two equivalent W+5.50+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+ and two equivalent W+5.50+ atoms.},
doi = {10.17188/1725200},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 04:00:00 UTC 2020},
month = {Sat May 02 04:00:00 UTC 2020}
}