U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2NaTmCl6 by Materials Project
Abstract
Cs2NaTmCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent NaCl6 octahedra, and faces with four equivalent TmCl6 octahedra. All Cs–Cl bond lengths are 3.84 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent TmCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.82 Å. Tm3+ is bonded to six equivalent Cl1- atoms to form TmCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.61 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Na1+, and one Tm3+ atom.
- Publication Date:
- Other Number(s):
- mp-1112567
- 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-Cs-Na-Tm; Cs2NaTmCl6; crystal structure
- OSTI Identifier:
- 1736379
- DOI:
- https://doi.org/10.17188/1736379
Citation Formats
Materials Data on Cs2NaTmCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1736379.
Materials Data on Cs2NaTmCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1736379
2020.
"Materials Data on Cs2NaTmCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1736379. https://www.osti.gov/servlets/purl/1736379. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1736379,
title = {Materials Data on Cs2NaTmCl6 by Materials Project},
abstractNote = {Cs2NaTmCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent NaCl6 octahedra, and faces with four equivalent TmCl6 octahedra. All Cs–Cl bond lengths are 3.84 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent TmCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.82 Å. Tm3+ is bonded to six equivalent Cl1- atoms to form TmCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.61 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Na1+, and one Tm3+ atom.},
doi = {10.17188/1736379},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}