skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CsGeI3 by Materials Project

Abstract

CsGeI3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Cs1+ is bonded to twelve I1- atoms to form distorted CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with eight equivalent GeI6 octahedra. There are a spread of Cs–I bond distances ranging from 4.16–4.61 Å. Ge2+ is bonded to six I1- atoms to form distorted GeI6 octahedra that share corners with six equivalent GeI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedra tilt angles range from 5–19°. There are a spread of Ge–I bond distances ranging from 2.77–3.49 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Ge2+ atoms. In the second I1- site, I1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and two equivalent Ge2+ atoms.

Publication Date:
Other Number(s):
mp-642690
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; CsGeI3; Cs-Ge-I
OSTI Identifier:
1280149
DOI:
https://doi.org/10.17188/1280149

Citation Formats

The Materials Project. Materials Data on CsGeI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280149.
The Materials Project. Materials Data on CsGeI3 by Materials Project. United States. doi:https://doi.org/10.17188/1280149
The Materials Project. 2020. "Materials Data on CsGeI3 by Materials Project". United States. doi:https://doi.org/10.17188/1280149. https://www.osti.gov/servlets/purl/1280149. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1280149,
title = {Materials Data on CsGeI3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsGeI3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Cs1+ is bonded to twelve I1- atoms to form distorted CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with eight equivalent GeI6 octahedra. There are a spread of Cs–I bond distances ranging from 4.16–4.61 Å. Ge2+ is bonded to six I1- atoms to form distorted GeI6 octahedra that share corners with six equivalent GeI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedra tilt angles range from 5–19°. There are a spread of Ge–I bond distances ranging from 2.77–3.49 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Ge2+ atoms. In the second I1- site, I1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and two equivalent Ge2+ atoms.},
doi = {10.17188/1280149},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}