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Title: Materials Data on Cs2AgSbBr6 by Materials Project

Abstract

Cs2AgSbBr6 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 AgBr6 octahedra, and faces with four equivalent SbBr6 octahedra. All Cs–Br bond lengths are 4.02 Å. Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 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 Ag–Br bond lengths are 2.86 Å. Sb3+ is bonded to six equivalent Br1- atoms to form SbBr6 octahedra that share corners with six equivalent AgBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Br bond lengths are 2.83 Å. Br1- is bonded to four equivalent Cs1+, one Ag1+, and one Sb3+ atom to form a mixture of distorted corner, edge, and face-sharing BrCs4AgSb octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Publication Date:
Other Number(s):
mp-1112943
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; Cs2AgSbBr6; Ag-Br-Cs-Sb
OSTI Identifier:
1651833
DOI:
https://doi.org/10.17188/1651833

Citation Formats

The Materials Project. Materials Data on Cs2AgSbBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651833.
The Materials Project. Materials Data on Cs2AgSbBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1651833
The Materials Project. 2020. "Materials Data on Cs2AgSbBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1651833. https://www.osti.gov/servlets/purl/1651833. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1651833,
title = {Materials Data on Cs2AgSbBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2AgSbBr6 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 AgBr6 octahedra, and faces with four equivalent SbBr6 octahedra. All Cs–Br bond lengths are 4.02 Å. Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 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 Ag–Br bond lengths are 2.86 Å. Sb3+ is bonded to six equivalent Br1- atoms to form SbBr6 octahedra that share corners with six equivalent AgBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Br bond lengths are 2.83 Å. Br1- is bonded to four equivalent Cs1+, one Ag1+, and one Sb3+ atom to form a mixture of distorted corner, edge, and face-sharing BrCs4AgSb octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1651833},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}