U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2Hg6S7 by Materials Project
Abstract
K2Hg6S7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.38–3.72 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.38–3.72 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.38–3.72 Å. There are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Hg–S bond distances ranging from 2.39–3.47 Å. In the second Hg2+ site, Hg2+ is bonded to four S2- atoms to form corner-sharing HgS4 trigonal pyramids. There are a spread of Hg–S bond distances ranging from 2.52–2.79 Å. In the third Hg2+ site, Hg2+ is bonded to four S2- atoms to form corner-sharing HgS4 trigonal pyramids. There are a spread of Hg–S bond distances ranging from 2.52–2.79 Å. There are seven inequivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211969
- 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; K2Hg6S7; Hg-K-S
- OSTI Identifier:
- 1729493
- DOI:
- https://doi.org/10.17188/1729493
Citation Formats
The Materials Project. Materials Data on K2Hg6S7 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1729493.
The Materials Project. Materials Data on K2Hg6S7 by Materials Project. United States. doi:https://doi.org/10.17188/1729493
The Materials Project. 2019.
"Materials Data on K2Hg6S7 by Materials Project". United States. doi:https://doi.org/10.17188/1729493. https://www.osti.gov/servlets/purl/1729493. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1729493,
title = {Materials Data on K2Hg6S7 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Hg6S7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.38–3.72 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.38–3.72 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.38–3.72 Å. There are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Hg–S bond distances ranging from 2.39–3.47 Å. In the second Hg2+ site, Hg2+ is bonded to four S2- atoms to form corner-sharing HgS4 trigonal pyramids. There are a spread of Hg–S bond distances ranging from 2.52–2.79 Å. In the third Hg2+ site, Hg2+ is bonded to four S2- atoms to form corner-sharing HgS4 trigonal pyramids. There are a spread of Hg–S bond distances ranging from 2.52–2.79 Å. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent K1+ and four Hg2+ atoms. There are one shorter (3.38 Å) and one longer (3.43 Å) S–K bond lengths. The S–Hg bond length is 3.47 Å. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent K1+ and four Hg2+ atoms. In the third S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent K1+ and four Hg2+ atoms. The S–Hg bond length is 2.52 Å. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent K1+ and four Hg2+ atoms. There are a spread of S–Hg bond distances ranging from 2.52–3.47 Å. In the fifth S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent K1+ and four Hg2+ atoms. In the sixth S2- site, S2- is bonded in a 6-coordinate geometry to two K1+ and four equivalent Hg2+ atoms. There are two shorter (2.40 Å) and two longer (3.41 Å) S–Hg bond lengths. In the seventh S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent K1+ and four equivalent Hg2+ atoms.},
doi = {10.17188/1729493},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}