U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2RbCeCl6 by Materials Project
Abstract
Cs2RbCeCl6 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 RbCl6 octahedra, and faces with four equivalent CeCl6 octahedra. All Cs–Cl bond lengths are 4.17 Å. Rb1+ is bonded to six equivalent Cl1- atoms to form RbCl6 octahedra that share corners with six equivalent CeCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Cl bond lengths are 3.15 Å. Ce3+ is bonded to six equivalent Cl1- atoms to form CeCl6 octahedra that share corners with six equivalent RbCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Cl bond lengths are 2.75 Å. Cl1- is bonded in a linear geometry to four equivalent Cs1+, one Rb1+, and one Ce3+ atom.
- Publication Date:
- Other Number(s):
- mp-1112520
- 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; Ce-Cl-Cs-Rb; Cs2RbCeCl6; crystal structure
- OSTI Identifier:
- 1723805
- DOI:
- https://doi.org/10.17188/1723805
Citation Formats
Materials Data on Cs2RbCeCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1723805.
Materials Data on Cs2RbCeCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1723805
2020.
"Materials Data on Cs2RbCeCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1723805. https://www.osti.gov/servlets/purl/1723805. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1723805,
title = {Materials Data on Cs2RbCeCl6 by Materials Project},
abstractNote = {Cs2RbCeCl6 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 RbCl6 octahedra, and faces with four equivalent CeCl6 octahedra. All Cs–Cl bond lengths are 4.17 Å. Rb1+ is bonded to six equivalent Cl1- atoms to form RbCl6 octahedra that share corners with six equivalent CeCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Cl bond lengths are 3.15 Å. Ce3+ is bonded to six equivalent Cl1- atoms to form CeCl6 octahedra that share corners with six equivalent RbCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Cl bond lengths are 2.75 Å. Cl1- is bonded in a linear geometry to four equivalent Cs1+, one Rb1+, and one Ce3+ atom.},
doi = {10.17188/1723805},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}