U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb2GaHgCl6 by Materials Project
Abstract
Rb2HgGaCl6 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 HgCl6 octahedra, and faces with four equivalent GaCl6 octahedra. All Rb–Cl bond lengths are 3.73 Å. Hg1+ is bonded to six equivalent Cl1- atoms to form HgCl6 octahedra that share corners with six equivalent GaCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Cl bond lengths are 2.84 Å. Ga3+ is bonded to six equivalent Cl1- atoms to form GaCl6 octahedra that share corners with six equivalent HgCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Cl bond lengths are 2.43 Å. Cl1- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Hg1+, and one Ga3+ atom.
- Publication Date:
- Other Number(s):
- mp-1113320
- 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-Ga-Hg-Rb; crystal structure; Rb2GaHgCl6
- OSTI Identifier:
- 1705878
- DOI:
- https://doi.org/10.17188/1705878
Citation Formats
Materials Data on Rb2GaHgCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1705878.
Materials Data on Rb2GaHgCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1705878
2020.
"Materials Data on Rb2GaHgCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1705878. https://www.osti.gov/servlets/purl/1705878. Pub date:Sun May 03 20:00:00 EDT 2020
@article{osti_1705878,
title = {Materials Data on Rb2GaHgCl6 by Materials Project},
abstractNote = {Rb2HgGaCl6 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 HgCl6 octahedra, and faces with four equivalent GaCl6 octahedra. All Rb–Cl bond lengths are 3.73 Å. Hg1+ is bonded to six equivalent Cl1- atoms to form HgCl6 octahedra that share corners with six equivalent GaCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Cl bond lengths are 2.84 Å. Ga3+ is bonded to six equivalent Cl1- atoms to form GaCl6 octahedra that share corners with six equivalent HgCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Cl bond lengths are 2.43 Å. Cl1- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Hg1+, and one Ga3+ atom.},
doi = {10.17188/1705878},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}