U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2HgBiCl6 by Materials Project
Abstract
K2HgBiCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent HgCl6 octahedra, and faces with four equivalent BiCl6 octahedra. All K–Cl bond lengths are 3.94 Å. Hg1+ is bonded to six equivalent Cl1- atoms to form HgCl6 octahedra that share corners with six equivalent BiCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Cl bond lengths are 2.85 Å. Bi3+ is bonded to six equivalent Cl1- atoms to form BiCl6 octahedra that share corners with six equivalent HgCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Cl bond lengths are 2.72 Å. Cl1- is bonded in a linear geometry to four equivalent K1+, one Hg1+, and one Bi3+ atom.
- Publication Date:
- Other Number(s):
- mp-1112033
- 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; Bi-Cl-Hg-K; crystal structure; K2HgBiCl6
- OSTI Identifier:
- 1727245
- DOI:
- https://doi.org/10.17188/1727245
Citation Formats
Materials Data on K2HgBiCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1727245.
Materials Data on K2HgBiCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1727245
2020.
"Materials Data on K2HgBiCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1727245. https://www.osti.gov/servlets/purl/1727245. Pub date:Sat May 02 20:00:00 EDT 2020
@article{osti_1727245,
title = {Materials Data on K2HgBiCl6 by Materials Project},
abstractNote = {K2HgBiCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent HgCl6 octahedra, and faces with four equivalent BiCl6 octahedra. All K–Cl bond lengths are 3.94 Å. Hg1+ is bonded to six equivalent Cl1- atoms to form HgCl6 octahedra that share corners with six equivalent BiCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Cl bond lengths are 2.85 Å. Bi3+ is bonded to six equivalent Cl1- atoms to form BiCl6 octahedra that share corners with six equivalent HgCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Cl bond lengths are 2.72 Å. Cl1- is bonded in a linear geometry to four equivalent K1+, one Hg1+, and one Bi3+ atom.},
doi = {10.17188/1727245},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}