U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2NaSmCl6 by Materials Project
Abstract
K2NaSmCl6 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 NaCl6 octahedra, and faces with four equivalent SmCl6 octahedra. All K–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 SmCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.74 Å. Sm3+ is bonded to six equivalent Cl1- atoms to form SmCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Cl bond lengths are 2.69 Å. Cl1- is bonded in a linear geometry to four equivalent K1+, one Na1+, and one Sm3+ atom.
- Publication Date:
- Other Number(s):
- mp-1111223
- 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-Na-Sm; K2NaSmCl6; crystal structure
- OSTI Identifier:
- 1652366
- DOI:
- https://doi.org/10.17188/1652366
Citation Formats
Materials Data on K2NaSmCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652366.
Materials Data on K2NaSmCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1652366
2020.
"Materials Data on K2NaSmCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1652366. https://www.osti.gov/servlets/purl/1652366. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1652366,
title = {Materials Data on K2NaSmCl6 by Materials Project},
abstractNote = {K2NaSmCl6 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 NaCl6 octahedra, and faces with four equivalent SmCl6 octahedra. All K–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 SmCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.74 Å. Sm3+ is bonded to six equivalent Cl1- atoms to form SmCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Cl bond lengths are 2.69 Å. Cl1- is bonded in a linear geometry to four equivalent K1+, one Na1+, and one Sm3+ atom.},
doi = {10.17188/1652366},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}