U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2CrHgF6 by Materials Project
Abstract
K2CrHgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent CrF6 octahedra, and faces with four equivalent HgF6 octahedra. All K–F bond lengths are 3.16 Å. Cr2+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent HgF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–F bond lengths are 1.94 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent CrF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.51 Å. F1- is bonded in a 2-coordinate geometry to four equivalent K1+, one Cr2+, and one Hg2+ atom.
- Publication Date:
- Other Number(s):
- mp-1111938
- 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; Cr-F-Hg-K; K2CrHgF6; crystal structure
- OSTI Identifier:
- 1653178
- DOI:
- https://doi.org/10.17188/1653178
Citation Formats
Materials Data on K2CrHgF6 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1653178.
Materials Data on K2CrHgF6 by Materials Project. United States. doi:https://doi.org/10.17188/1653178
2018.
"Materials Data on K2CrHgF6 by Materials Project". United States. doi:https://doi.org/10.17188/1653178. https://www.osti.gov/servlets/purl/1653178. Pub date:Tue Aug 14 04:00:00 UTC 2018
@article{osti_1653178,
title = {Materials Data on K2CrHgF6 by Materials Project},
abstractNote = {K2CrHgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent CrF6 octahedra, and faces with four equivalent HgF6 octahedra. All K–F bond lengths are 3.16 Å. Cr2+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent HgF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–F bond lengths are 1.94 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent CrF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.51 Å. F1- is bonded in a 2-coordinate geometry to four equivalent K1+, one Cr2+, and one Hg2+ atom.},
doi = {10.17188/1653178},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {8}
}