U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsNa2 by Materials Project
Abstract
Na2Cs is Hexagonal Laves structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to four equivalent Cs and twelve Na atoms. There are a spread of Cs–Cs bond distances ranging from 4.73–4.79 Å. There are a spread of Cs–Na bond distances ranging from 4.55–4.58 Å. There are four inequivalent Na sites. In the first Na site, Na is bonded to six equivalent Cs and six Na atoms to form a mixture of corner, edge, and face-sharing NaCs6Na6 cuboctahedra. There are two shorter (3.88 Å) and four longer (3.89 Å) Na–Na bond lengths. In the second Na site, Na is bonded to six equivalent Cs and six Na atoms to form a mixture of corner, edge, and face-sharing NaCs6Na6 cuboctahedra. There are a spread of Na–Na bond distances ranging from 3.89–3.91 Å. In the third Na site, Na is bonded to six equivalent Cs and six Na atoms to form a mixture of corner, edge, and face-sharing NaCs6Na6 cuboctahedra. There are one shorter (3.88 Å) and one longer (3.90 Å) Na–Na bond lengths. In the fourth Na site, Na is bonded to six equivalent Cs and six Na atoms tomore »
- Publication Date:
- Other Number(s):
- mp-1095650
- 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; Cs-Na; CsNa2; crystal structure
- OSTI Identifier:
- 1739152
- DOI:
- https://doi.org/10.17188/1739152
Citation Formats
Materials Data on CsNa2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1739152.
Materials Data on CsNa2 by Materials Project. United States. doi:https://doi.org/10.17188/1739152
2020.
"Materials Data on CsNa2 by Materials Project". United States. doi:https://doi.org/10.17188/1739152. https://www.osti.gov/servlets/purl/1739152. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1739152,
title = {Materials Data on CsNa2 by Materials Project},
abstractNote = {Na2Cs is Hexagonal Laves structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to four equivalent Cs and twelve Na atoms. There are a spread of Cs–Cs bond distances ranging from 4.73–4.79 Å. There are a spread of Cs–Na bond distances ranging from 4.55–4.58 Å. There are four inequivalent Na sites. In the first Na site, Na is bonded to six equivalent Cs and six Na atoms to form a mixture of corner, edge, and face-sharing NaCs6Na6 cuboctahedra. There are two shorter (3.88 Å) and four longer (3.89 Å) Na–Na bond lengths. In the second Na site, Na is bonded to six equivalent Cs and six Na atoms to form a mixture of corner, edge, and face-sharing NaCs6Na6 cuboctahedra. There are a spread of Na–Na bond distances ranging from 3.89–3.91 Å. In the third Na site, Na is bonded to six equivalent Cs and six Na atoms to form a mixture of corner, edge, and face-sharing NaCs6Na6 cuboctahedra. There are one shorter (3.88 Å) and one longer (3.90 Å) Na–Na bond lengths. In the fourth Na site, Na is bonded to six equivalent Cs and six Na atoms to form a mixture of corner, edge, and face-sharing NaCs6Na6 cuboctahedra.},
doi = {10.17188/1739152},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}