U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2LiTmCl6 by Materials Project
Abstract
Na2LiTmCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent Cl1- atoms to form distorted NaCl12 cuboctahedra that share corners with twelve equivalent NaCl12 cuboctahedra, faces with six equivalent NaCl12 cuboctahedra, faces with four equivalent LiCl6 octahedra, and faces with four equivalent TmCl6 octahedra. All Na–Cl bond lengths are 3.60 Å. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent TmCl6 octahedra and faces with eight equivalent NaCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.52 Å. Tm3+ is bonded to six equivalent Cl1- atoms to form TmCl6 octahedra that share corners with six equivalent LiCl6 octahedra and faces with eight equivalent NaCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.58 Å. Cl1- is bonded in a linear geometry to four equivalent Na1+, one Li1+, and one Tm3+ atom.
- Publication Date:
- Other Number(s):
- mp-1113284
- 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-Li-Na-Tm; Na2LiTmCl6; crystal structure
- OSTI Identifier:
- 1682146
- DOI:
- https://doi.org/10.17188/1682146
Citation Formats
Materials Data on Na2LiTmCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1682146.
Materials Data on Na2LiTmCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1682146
2020.
"Materials Data on Na2LiTmCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1682146. https://www.osti.gov/servlets/purl/1682146. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1682146,
title = {Materials Data on Na2LiTmCl6 by Materials Project},
abstractNote = {Na2LiTmCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent Cl1- atoms to form distorted NaCl12 cuboctahedra that share corners with twelve equivalent NaCl12 cuboctahedra, faces with six equivalent NaCl12 cuboctahedra, faces with four equivalent LiCl6 octahedra, and faces with four equivalent TmCl6 octahedra. All Na–Cl bond lengths are 3.60 Å. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent TmCl6 octahedra and faces with eight equivalent NaCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.52 Å. Tm3+ is bonded to six equivalent Cl1- atoms to form TmCl6 octahedra that share corners with six equivalent LiCl6 octahedra and faces with eight equivalent NaCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.58 Å. Cl1- is bonded in a linear geometry to four equivalent Na1+, one Li1+, and one Tm3+ atom.},
doi = {10.17188/1682146},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}