U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2RbYCl6 by Materials Project
Abstract
Cs2RbYCl6 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 YCl6 octahedra. All Cs–Cl bond lengths are 4.10 Å. Rb1+ is bonded to six equivalent Cl1- atoms to form RbCl6 octahedra that share corners with six equivalent YCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Cl bond lengths are 3.14 Å. Y3+ is bonded to six equivalent Cl1- atoms to form YCl6 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 Y–Cl bond lengths are 2.65 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Rb1+, and one Y3+ atom.
- Publication Date:
- Other Number(s):
- mp-1112114
- 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-Rb-Y; Cs2RbYCl6; crystal structure
- OSTI Identifier:
- 1688900
- DOI:
- https://doi.org/10.17188/1688900
Citation Formats
Materials Data on Cs2RbYCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1688900.
Materials Data on Cs2RbYCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1688900
2020.
"Materials Data on Cs2RbYCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1688900. https://www.osti.gov/servlets/purl/1688900. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1688900,
title = {Materials Data on Cs2RbYCl6 by Materials Project},
abstractNote = {Cs2RbYCl6 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 YCl6 octahedra. All Cs–Cl bond lengths are 4.10 Å. Rb1+ is bonded to six equivalent Cl1- atoms to form RbCl6 octahedra that share corners with six equivalent YCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Cl bond lengths are 3.14 Å. Y3+ is bonded to six equivalent Cl1- atoms to form YCl6 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 Y–Cl bond lengths are 2.65 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Rb1+, and one Y3+ atom.},
doi = {10.17188/1688900},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}