Materials Data on Rb2AlHgBr6 by Materials Project
Abstract
Rb2HgAlBr6 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 Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, faces with four equivalent HgBr6 octahedra, and faces with four equivalent AlBr6 octahedra. All Rb–Br bond lengths are 3.93 Å. Hg1+ is bonded to six equivalent Br1- atoms to form HgBr6 octahedra that share corners with six equivalent AlBr6 octahedra and faces with eight equivalent RbBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Br bond lengths are 3.00 Å. Al3+ is bonded to six equivalent Br1- atoms to form AlBr6 octahedra that share corners with six equivalent HgBr6 octahedra and faces with eight equivalent RbBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–Br bond lengths are 2.55 Å. Br1- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Hg1+, and one Al3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1113563
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Rb2AlHgBr6; Al-Br-Hg-Rb
- OSTI Identifier:
- 1715306
- DOI:
- https://doi.org/10.17188/1715306
Citation Formats
The Materials Project. Materials Data on Rb2AlHgBr6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1715306.
The Materials Project. Materials Data on Rb2AlHgBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1715306
The Materials Project. 2020.
"Materials Data on Rb2AlHgBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1715306. https://www.osti.gov/servlets/purl/1715306. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1715306,
title = {Materials Data on Rb2AlHgBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2HgAlBr6 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 Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, faces with four equivalent HgBr6 octahedra, and faces with four equivalent AlBr6 octahedra. All Rb–Br bond lengths are 3.93 Å. Hg1+ is bonded to six equivalent Br1- atoms to form HgBr6 octahedra that share corners with six equivalent AlBr6 octahedra and faces with eight equivalent RbBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Br bond lengths are 3.00 Å. Al3+ is bonded to six equivalent Br1- atoms to form AlBr6 octahedra that share corners with six equivalent HgBr6 octahedra and faces with eight equivalent RbBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–Br bond lengths are 2.55 Å. Br1- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Hg1+, and one Al3+ atom.},
doi = {10.17188/1715306},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}