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Title: 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 » 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.« less

Publication Date:
Other Number(s):
mp-1211969
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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 = {2019},
month = {1}
}