U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KHg5Cl11 by Materials Project
Abstract
KHg5Cl11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.33–3.89 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted linear geometry to seven Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.33–3.43 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to six Cl1- atoms. There are two shorter (2.34 Å) and four longer (3.38 Å) Hg–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one K1+ and three equivalent Hg2+ atoms. In the third Cl1- site, Cl1- is bonded to two equivalent K1+ and four equivalent Hg2+ atoms to form corner-sharing ClK2Hg4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one K1+ and three Hg2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1211367
- 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-Hg-K; KHg5Cl11; crystal structure
- OSTI Identifier:
- 1738142
- DOI:
- https://doi.org/10.17188/1738142
Citation Formats
Materials Data on KHg5Cl11 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738142.
Materials Data on KHg5Cl11 by Materials Project. United States. doi:https://doi.org/10.17188/1738142
2020.
"Materials Data on KHg5Cl11 by Materials Project". United States. doi:https://doi.org/10.17188/1738142. https://www.osti.gov/servlets/purl/1738142. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1738142,
title = {Materials Data on KHg5Cl11 by Materials Project},
abstractNote = {KHg5Cl11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.33–3.89 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted linear geometry to seven Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.33–3.43 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to six Cl1- atoms. There are two shorter (2.34 Å) and four longer (3.38 Å) Hg–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one K1+ and three equivalent Hg2+ atoms. In the third Cl1- site, Cl1- is bonded to two equivalent K1+ and four equivalent Hg2+ atoms to form corner-sharing ClK2Hg4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one K1+ and three Hg2+ atoms.},
doi = {10.17188/1738142},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}