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Title: Materials Data on Rb2HgSbI6 by Materials Project

Abstract

Rb2HgSbI6 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 I1- atoms to form RbI12 cuboctahedra that share corners with twelve equivalent RbI12 cuboctahedra, faces with six equivalent RbI12 cuboctahedra, faces with four equivalent HgI6 octahedra, and faces with four equivalent SbI6 octahedra. All Rb–I bond lengths are 4.35 Å. Hg1+ is bonded to six equivalent I1- atoms to form HgI6 octahedra that share corners with six equivalent SbI6 octahedra and faces with eight equivalent RbI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–I bond lengths are 3.13 Å. Sb3+ is bonded to six equivalent I1- atoms to form SbI6 octahedra that share corners with six equivalent HgI6 octahedra and faces with eight equivalent RbI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–I bond lengths are 3.03 Å. I1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Hg1+, and one Sb3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1111041
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; Rb2HgSbI6; Hg-I-Rb-Sb
OSTI Identifier:
1680342
DOI:
https://doi.org/10.17188/1680342

Citation Formats

The Materials Project. Materials Data on Rb2HgSbI6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680342.
The Materials Project. Materials Data on Rb2HgSbI6 by Materials Project. United States. doi:https://doi.org/10.17188/1680342
The Materials Project. 2020. "Materials Data on Rb2HgSbI6 by Materials Project". United States. doi:https://doi.org/10.17188/1680342. https://www.osti.gov/servlets/purl/1680342. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1680342,
title = {Materials Data on Rb2HgSbI6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2HgSbI6 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 I1- atoms to form RbI12 cuboctahedra that share corners with twelve equivalent RbI12 cuboctahedra, faces with six equivalent RbI12 cuboctahedra, faces with four equivalent HgI6 octahedra, and faces with four equivalent SbI6 octahedra. All Rb–I bond lengths are 4.35 Å. Hg1+ is bonded to six equivalent I1- atoms to form HgI6 octahedra that share corners with six equivalent SbI6 octahedra and faces with eight equivalent RbI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–I bond lengths are 3.13 Å. Sb3+ is bonded to six equivalent I1- atoms to form SbI6 octahedra that share corners with six equivalent HgI6 octahedra and faces with eight equivalent RbI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–I bond lengths are 3.03 Å. I1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Hg1+, and one Sb3+ atom.},
doi = {10.17188/1680342},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}