U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn2Hg2OF6 by Materials Project
Abstract
Hg2Zn2OF6 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hg2+ is bonded to two equivalent O2- and six equivalent F1- atoms to form HgO2F6 hexagonal bipyramids that share edges with six equivalent HgO2F6 hexagonal bipyramids and edges with six equivalent ZnF6 octahedra. Both Hg–O bond lengths are 2.30 Å. All Hg–F bond lengths are 2.64 Å. Zn2+ is bonded to six equivalent F1- atoms to form ZnF6 octahedra that share corners with six equivalent ZnF6 octahedra and edges with six equivalent HgO2F6 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. All Zn–F bond lengths are 2.04 Å. O2- is bonded to four equivalent Hg2+ atoms to form corner-sharing OHg4 tetrahedra. F1- is bonded in a 4-coordinate geometry to two equivalent Hg2+ and two equivalent Zn2+ atoms.
- Publication Date:
- Other Number(s):
- mp-17972
- 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; F-Hg-O-Zn; Zn2Hg2OF6; crystal structure
- OSTI Identifier:
- 1192806
- DOI:
- https://doi.org/10.17188/1192806
Citation Formats
Materials Data on Zn2Hg2OF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192806.
Materials Data on Zn2Hg2OF6 by Materials Project. United States. doi:https://doi.org/10.17188/1192806
2020.
"Materials Data on Zn2Hg2OF6 by Materials Project". United States. doi:https://doi.org/10.17188/1192806. https://www.osti.gov/servlets/purl/1192806. Pub date:Sat Jul 18 04:00:00 UTC 2020
@article{osti_1192806,
title = {Materials Data on Zn2Hg2OF6 by Materials Project},
abstractNote = {Hg2Zn2OF6 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hg2+ is bonded to two equivalent O2- and six equivalent F1- atoms to form HgO2F6 hexagonal bipyramids that share edges with six equivalent HgO2F6 hexagonal bipyramids and edges with six equivalent ZnF6 octahedra. Both Hg–O bond lengths are 2.30 Å. All Hg–F bond lengths are 2.64 Å. Zn2+ is bonded to six equivalent F1- atoms to form ZnF6 octahedra that share corners with six equivalent ZnF6 octahedra and edges with six equivalent HgO2F6 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. All Zn–F bond lengths are 2.04 Å. O2- is bonded to four equivalent Hg2+ atoms to form corner-sharing OHg4 tetrahedra. F1- is bonded in a 4-coordinate geometry to two equivalent Hg2+ and two equivalent Zn2+ atoms.},
doi = {10.17188/1192806},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}