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Title: Materials Data on Rb2ScHgBr6 by Materials Project

Abstract

Rb2ScHgBr6 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 Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, faces with four equivalent ScBr6 octahedra, and faces with four equivalent HgBr6 octahedra. All Rb–Br bond lengths are 4.04 Å. Sc2+ is bonded to six equivalent Br1- atoms to form ScBr6 octahedra that share corners with six equivalent HgBr6 octahedra and faces with eight equivalent RbBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–Br bond lengths are 2.66 Å. Hg2+ is bonded to six equivalent Br1- atoms to form HgBr6 octahedra that share corners with six equivalent ScBr6 octahedra and faces with eight equivalent RbBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Br bond lengths are 3.04 Å. Br1- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Sc2+, and one Hg2+ atom.

Publication Date:
Other Number(s):
mp-1113386
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; Rb2ScHgBr6; Br-Hg-Rb-Sc
OSTI Identifier:
1677753
DOI:
https://doi.org/10.17188/1677753

Citation Formats

The Materials Project. Materials Data on Rb2ScHgBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677753.
The Materials Project. Materials Data on Rb2ScHgBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1677753
The Materials Project. 2020. "Materials Data on Rb2ScHgBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1677753. https://www.osti.gov/servlets/purl/1677753. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1677753,
title = {Materials Data on Rb2ScHgBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2ScHgBr6 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 Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, faces with four equivalent ScBr6 octahedra, and faces with four equivalent HgBr6 octahedra. All Rb–Br bond lengths are 4.04 Å. Sc2+ is bonded to six equivalent Br1- atoms to form ScBr6 octahedra that share corners with six equivalent HgBr6 octahedra and faces with eight equivalent RbBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–Br bond lengths are 2.66 Å. Hg2+ is bonded to six equivalent Br1- atoms to form HgBr6 octahedra that share corners with six equivalent ScBr6 octahedra and faces with eight equivalent RbBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Br bond lengths are 3.04 Å. Br1- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Sc2+, and one Hg2+ atom.},
doi = {10.17188/1677753},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}