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Title: Materials Data on Rb2HgSbCl6 by Materials Project

Abstract

Rb2HgSbCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent HgCl6 octahedra, and faces with four equivalent SbCl6 octahedra. All Rb–Cl bond lengths are 3.92 Å. Hg1+ is bonded to six equivalent Cl1- atoms to form HgCl6 octahedra that share corners with six equivalent SbCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Cl bond lengths are 2.89 Å. Sb3+ is bonded to six equivalent Cl1- atoms to form SbCl6 octahedra that share corners with six equivalent HgCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Cl bond lengths are 2.64 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Hg1+, and one Sb3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1113385
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; Rb2HgSbCl6; Cl-Hg-Rb-Sb
OSTI Identifier:
1751614
DOI:
https://doi.org/10.17188/1751614

Citation Formats

The Materials Project. Materials Data on Rb2HgSbCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751614.
The Materials Project. Materials Data on Rb2HgSbCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1751614
The Materials Project. 2020. "Materials Data on Rb2HgSbCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1751614. https://www.osti.gov/servlets/purl/1751614. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1751614,
title = {Materials Data on Rb2HgSbCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2HgSbCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent HgCl6 octahedra, and faces with four equivalent SbCl6 octahedra. All Rb–Cl bond lengths are 3.92 Å. Hg1+ is bonded to six equivalent Cl1- atoms to form HgCl6 octahedra that share corners with six equivalent SbCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Cl bond lengths are 2.89 Å. Sb3+ is bonded to six equivalent Cl1- atoms to form SbCl6 octahedra that share corners with six equivalent HgCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Cl bond lengths are 2.64 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Hg1+, and one Sb3+ atom.},
doi = {10.17188/1751614},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}