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Title: Materials Data on K2CrHgF6 by Materials Project

Abstract

K2CrHgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent CrF6 octahedra, and faces with four equivalent HgF6 octahedra. All K–F bond lengths are 3.16 Å. Cr2+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent HgF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–F bond lengths are 1.94 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent CrF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.51 Å. F1- is bonded in a 2-coordinate geometry to four equivalent K1+, one Cr2+, and one Hg2+ atom.

Publication Date:
Other Number(s):
mp-1111938
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; K2CrHgF6; Cr-F-Hg-K
OSTI Identifier:
1653178
DOI:
https://doi.org/10.17188/1653178

Citation Formats

The Materials Project. Materials Data on K2CrHgF6 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1653178.
The Materials Project. Materials Data on K2CrHgF6 by Materials Project. United States. doi:https://doi.org/10.17188/1653178
The Materials Project. 2018. "Materials Data on K2CrHgF6 by Materials Project". United States. doi:https://doi.org/10.17188/1653178. https://www.osti.gov/servlets/purl/1653178. Pub date:Tue Aug 14 00:00:00 EDT 2018
@article{osti_1653178,
title = {Materials Data on K2CrHgF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2CrHgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent CrF6 octahedra, and faces with four equivalent HgF6 octahedra. All K–F bond lengths are 3.16 Å. Cr2+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent HgF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–F bond lengths are 1.94 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent CrF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.51 Å. F1- is bonded in a 2-coordinate geometry to four equivalent K1+, one Cr2+, and one Hg2+ atom.},
doi = {10.17188/1653178},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {8}
}