U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2LiTmCl6 by Materials Project
Abstract
K2LiTmCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent LiCl6 octahedra, and faces with four equivalent TmCl6 octahedra. All K–Cl bond lengths are 3.65 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 KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.57 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 KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.59 Å. Cl1- is bonded in a distorted linear geometry to four equivalent K1+, one Li1+, and one Tm3+ atom.
- Publication Date:
- Other Number(s):
- mp-1111657
- 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-K-Li-Tm; K2LiTmCl6; crystal structure
- OSTI Identifier:
- 1716500
- DOI:
- https://doi.org/10.17188/1716500
Citation Formats
Materials Data on K2LiTmCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1716500.
Materials Data on K2LiTmCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1716500
2020.
"Materials Data on K2LiTmCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1716500. https://www.osti.gov/servlets/purl/1716500. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1716500,
title = {Materials Data on K2LiTmCl6 by Materials Project},
abstractNote = {K2LiTmCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent LiCl6 octahedra, and faces with four equivalent TmCl6 octahedra. All K–Cl bond lengths are 3.65 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 KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.57 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 KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.59 Å. Cl1- is bonded in a distorted linear geometry to four equivalent K1+, one Li1+, and one Tm3+ atom.},
doi = {10.17188/1716500},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}