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Title: Materials Data on K2HgCl4 by Materials Project

Abstract

K2HgCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six Cl1- atoms to form a mixture of face, edge, and corner-sharing KCl6 octahedra. The corner-sharing octahedra tilt angles range from 23–34°. There are a spread of K–Cl bond distances ranging from 3.12–3.24 Å. In the second K1+ site, K1+ is bonded to six Cl1- atoms to form a mixture of face, edge, and corner-sharing KCl6 octahedra. The corner-sharing octahedra tilt angles range from 23–34°. There are a spread of K–Cl bond distances ranging from 3.13–3.48 Å. Hg2+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are two shorter (2.36 Å) and one longer (2.71 Å) Hg–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two K1+ and one Hg2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to four K1+ atoms. In the third Cl1- site, Cl1- is bonded to four K1+ and one Hg2+ atom to form distorted corner-sharing ClK4Hg trigonal bipyramids.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1276380
Report Number(s):
mp-571661
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; K2HgCl4; Cl-Hg-K

Citation Formats

The Materials Project. Materials Data on K2HgCl4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276380.
The Materials Project. Materials Data on K2HgCl4 by Materials Project. United States. https://doi.org/10.17188/1276380
The Materials Project. Wed . "Materials Data on K2HgCl4 by Materials Project". United States. https://doi.org/10.17188/1276380. https://www.osti.gov/servlets/purl/1276380.
@article{osti_1276380,
title = {Materials Data on K2HgCl4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2HgCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six Cl1- atoms to form a mixture of face, edge, and corner-sharing KCl6 octahedra. The corner-sharing octahedra tilt angles range from 23–34°. There are a spread of K–Cl bond distances ranging from 3.12–3.24 Å. In the second K1+ site, K1+ is bonded to six Cl1- atoms to form a mixture of face, edge, and corner-sharing KCl6 octahedra. The corner-sharing octahedra tilt angles range from 23–34°. There are a spread of K–Cl bond distances ranging from 3.13–3.48 Å. Hg2+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are two shorter (2.36 Å) and one longer (2.71 Å) Hg–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two K1+ and one Hg2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to four K1+ atoms. In the third Cl1- site, Cl1- is bonded to four K1+ and one Hg2+ atom to form distorted corner-sharing ClK4Hg trigonal bipyramids.},
doi = {10.17188/1276380},
url = {https://www.osti.gov/biblio/1276380}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}