U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb2LaCuCl6 by Materials Project
Abstract
Rb2LaCuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent LaCl6 octahedra, and faces with four equivalent CuCl6 octahedra. All Rb–Cl bond lengths are 3.76 Å. La3+ is bonded to six equivalent Cl1- atoms to form LaCl6 octahedra that share corners with six equivalent CuCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All La–Cl bond lengths are 2.77 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent LaCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.55 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one La3+, and one Cu1+ atom.
- Publication Date:
- Other Number(s):
- mp-1113343
- 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-Cu-La-Rb; Rb2LaCuCl6; crystal structure
- OSTI Identifier:
- 1675855
- DOI:
- https://doi.org/10.17188/1675855
Citation Formats
Materials Data on Rb2LaCuCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1675855.
Materials Data on Rb2LaCuCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1675855
2020.
"Materials Data on Rb2LaCuCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1675855. https://www.osti.gov/servlets/purl/1675855. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1675855,
title = {Materials Data on Rb2LaCuCl6 by Materials Project},
abstractNote = {Rb2LaCuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent LaCl6 octahedra, and faces with four equivalent CuCl6 octahedra. All Rb–Cl bond lengths are 3.76 Å. La3+ is bonded to six equivalent Cl1- atoms to form LaCl6 octahedra that share corners with six equivalent CuCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All La–Cl bond lengths are 2.77 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent LaCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.55 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one La3+, and one Cu1+ atom.},
doi = {10.17188/1675855},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}