U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KRb2InCl6 by Materials Project
Abstract
Rb2KInCl6 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 KCl6 octahedra, and faces with four equivalent InCl6 octahedra. All Rb–Cl bond lengths are 3.92 Å. K1+ is bonded to six equivalent Cl1- atoms to form KCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–Cl bond lengths are 2.99 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent KCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.54 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one K1+, and one In3+ atom.
- Publication Date:
- Other Number(s):
- mp-989529
- 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-In-K-Rb; crystal structure; KRb2InCl6
- OSTI Identifier:
- 1316828
- DOI:
- https://doi.org/10.17188/1316828
Citation Formats
Materials Data on KRb2InCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316828.
Materials Data on KRb2InCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1316828
2020.
"Materials Data on KRb2InCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1316828. https://www.osti.gov/servlets/purl/1316828. Pub date:Tue Jul 21 20:00:00 EDT 2020
@article{osti_1316828,
title = {Materials Data on KRb2InCl6 by Materials Project},
abstractNote = {Rb2KInCl6 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 KCl6 octahedra, and faces with four equivalent InCl6 octahedra. All Rb–Cl bond lengths are 3.92 Å. K1+ is bonded to six equivalent Cl1- atoms to form KCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–Cl bond lengths are 2.99 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent KCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.54 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one K1+, and one In3+ atom.},
doi = {10.17188/1316828},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}