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Title: Materials Data on CsGeBr3 by Materials Project

Abstract

CsGeBr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-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, and faces with eight equivalent GeBr6 octahedra. All Cs–Br bond lengths are 3.97 Å. Ge2+ is bonded to six equivalent Br1- atoms to form GeBr6 octahedra that share corners with six equivalent GeBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–Br bond lengths are 2.81 Å. Br1- is bonded to four equivalent Cs1+ and two equivalent Ge2+ atoms to form a mixture of distorted edge, face, and corner-sharing BrCs4Ge2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Publication Date:
Other Number(s):
mp-570223
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; CsGeBr3; Br-Cs-Ge
OSTI Identifier:
1275588
DOI:
10.17188/1275588

Citation Formats

The Materials Project. Materials Data on CsGeBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275588.
The Materials Project. Materials Data on CsGeBr3 by Materials Project. United States. doi:10.17188/1275588.
The Materials Project. 2020. "Materials Data on CsGeBr3 by Materials Project". United States. doi:10.17188/1275588. https://www.osti.gov/servlets/purl/1275588. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1275588,
title = {Materials Data on CsGeBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsGeBr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-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, and faces with eight equivalent GeBr6 octahedra. All Cs–Br bond lengths are 3.97 Å. Ge2+ is bonded to six equivalent Br1- atoms to form GeBr6 octahedra that share corners with six equivalent GeBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–Br bond lengths are 2.81 Å. Br1- is bonded to four equivalent Cs1+ and two equivalent Ge2+ atoms to form a mixture of distorted edge, face, and corner-sharing BrCs4Ge2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1275588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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