U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2Cl by Materials Project
Abstract
Na2Cl crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to four equivalent Na and four equivalent Cl atoms. All Na–Na bond lengths are 3.81 Å. All Na–Cl bond lengths are 3.02 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Cl atoms. All Na–Cl bond lengths are 3.08 Å. In the third Na site, Na is bonded to twelve Na atoms to form a mixture of face and corner-sharing NaNa12 cuboctahedra. All Na–Na bond lengths are 3.56 Å. Cl is bonded in a body-centered cubic geometry to eight Na atoms.
- Publication Date:
- Other Number(s):
- mp-1018810
- 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; Cl-Na; Na2Cl; crystal structure
- OSTI Identifier:
- 1350366
- DOI:
- https://doi.org/10.17188/1350366
Citation Formats
Materials Data on Na2Cl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350366.
Materials Data on Na2Cl by Materials Project. United States. doi:https://doi.org/10.17188/1350366
2020.
"Materials Data on Na2Cl by Materials Project". United States. doi:https://doi.org/10.17188/1350366. https://www.osti.gov/servlets/purl/1350366. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1350366,
title = {Materials Data on Na2Cl by Materials Project},
abstractNote = {Na2Cl crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to four equivalent Na and four equivalent Cl atoms. All Na–Na bond lengths are 3.81 Å. All Na–Cl bond lengths are 3.02 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Cl atoms. All Na–Cl bond lengths are 3.08 Å. In the third Na site, Na is bonded to twelve Na atoms to form a mixture of face and corner-sharing NaNa12 cuboctahedra. All Na–Na bond lengths are 3.56 Å. Cl is bonded in a body-centered cubic geometry to eight Na atoms.},
doi = {10.17188/1350366},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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