U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb2InHgI6 by Materials Project
Abstract
Rb2HgInI6 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 I1- atoms to form RbI12 cuboctahedra that share corners with twelve equivalent RbI12 cuboctahedra, faces with six equivalent RbI12 cuboctahedra, faces with four equivalent HgI6 octahedra, and faces with four equivalent InI6 octahedra. All Rb–I bond lengths are 4.30 Å. Hg2+ is bonded to six equivalent I1- atoms to form HgI6 octahedra that share corners with six equivalent InI6 octahedra and faces with eight equivalent RbI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–I bond lengths are 3.09 Å. In2+ is bonded to six equivalent I1- atoms to form InI6 octahedra that share corners with six equivalent HgI6 octahedra and faces with eight equivalent RbI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 2.99 Å. I1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Hg2+, and one In2+ atom.
- Publication Date:
- Other Number(s):
- mp-1113551
- 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; Hg-I-In-Rb; Rb2InHgI6; crystal structure
- OSTI Identifier:
- 1678644
- DOI:
- https://doi.org/10.17188/1678644
Citation Formats
Materials Data on Rb2InHgI6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1678644.
Materials Data on Rb2InHgI6 by Materials Project. United States. doi:https://doi.org/10.17188/1678644
2020.
"Materials Data on Rb2InHgI6 by Materials Project". United States. doi:https://doi.org/10.17188/1678644. https://www.osti.gov/servlets/purl/1678644. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1678644,
title = {Materials Data on Rb2InHgI6 by Materials Project},
abstractNote = {Rb2HgInI6 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 I1- atoms to form RbI12 cuboctahedra that share corners with twelve equivalent RbI12 cuboctahedra, faces with six equivalent RbI12 cuboctahedra, faces with four equivalent HgI6 octahedra, and faces with four equivalent InI6 octahedra. All Rb–I bond lengths are 4.30 Å. Hg2+ is bonded to six equivalent I1- atoms to form HgI6 octahedra that share corners with six equivalent InI6 octahedra and faces with eight equivalent RbI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–I bond lengths are 3.09 Å. In2+ is bonded to six equivalent I1- atoms to form InI6 octahedra that share corners with six equivalent HgI6 octahedra and faces with eight equivalent RbI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 2.99 Å. I1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Hg2+, and one In2+ atom.},
doi = {10.17188/1678644},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}