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Title: Materials Data on Cs2RbSbBr6 by Materials Project

Abstract

Cs2RbSbBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, faces with four equivalent RbBr6 octahedra, and faces with four equivalent SbBr6 octahedra. All Cs–Br bond lengths are 4.32 Å. Rb1+ is bonded to six equivalent Br1- atoms to form RbBr6 octahedra that share corners with six equivalent SbBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Br bond lengths are 3.28 Å. Sb3+ is bonded to six equivalent Br1- atoms to form SbBr6 octahedra that share corners with six equivalent RbBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Br bond lengths are 2.82 Å. Br1- is bonded in a linear geometry to four equivalent Cs1+, one Rb1+, and one Sb3+ atom.

Publication Date:
Other Number(s):
mp-1112121
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; Cs2RbSbBr6; Br-Cs-Rb-Sb
OSTI Identifier:
1757745
DOI:
https://doi.org/10.17188/1757745

Citation Formats

The Materials Project. Materials Data on Cs2RbSbBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757745.
The Materials Project. Materials Data on Cs2RbSbBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1757745
The Materials Project. 2020. "Materials Data on Cs2RbSbBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1757745. https://www.osti.gov/servlets/purl/1757745. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757745,
title = {Materials Data on Cs2RbSbBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2RbSbBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, faces with four equivalent RbBr6 octahedra, and faces with four equivalent SbBr6 octahedra. All Cs–Br bond lengths are 4.32 Å. Rb1+ is bonded to six equivalent Br1- atoms to form RbBr6 octahedra that share corners with six equivalent SbBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Br bond lengths are 3.28 Å. Sb3+ is bonded to six equivalent Br1- atoms to form SbBr6 octahedra that share corners with six equivalent RbBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Br bond lengths are 2.82 Å. Br1- is bonded in a linear geometry to four equivalent Cs1+, one Rb1+, and one Sb3+ atom.},
doi = {10.17188/1757745},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}