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Title: Materials Data on CuGeI3 by Materials Project

Abstract

CuGeI3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Cu1+ is bonded in a 4-coordinate geometry to four equivalent I1- atoms. All Cu–I bond lengths are 3.30 Å. Ge2+ is bonded to six I1- atoms to form corner-sharing GeI6 octahedra. The corner-sharing octahedra tilt angles range from 0–40°. There are two shorter (2.75 Å) and four longer (3.05 Å) Ge–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two equivalent Ge2+ atoms. In the second I1- site, I1- is bonded to two equivalent Cu1+ and two equivalent Ge2+ atoms to form a mixture of distorted edge and corner-sharing ICu2Ge2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1096939
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CuGeI3; Cu-Ge-I
OSTI Identifier:
1653779
DOI:
https://doi.org/10.17188/1653779

Citation Formats

The Materials Project. Materials Data on CuGeI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1653779.
The Materials Project. Materials Data on CuGeI3 by Materials Project. United States. doi:https://doi.org/10.17188/1653779
The Materials Project. 2020. "Materials Data on CuGeI3 by Materials Project". United States. doi:https://doi.org/10.17188/1653779. https://www.osti.gov/servlets/purl/1653779. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1653779,
title = {Materials Data on CuGeI3 by Materials Project},
author = {The Materials Project},
abstractNote = {CuGeI3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Cu1+ is bonded in a 4-coordinate geometry to four equivalent I1- atoms. All Cu–I bond lengths are 3.30 Å. Ge2+ is bonded to six I1- atoms to form corner-sharing GeI6 octahedra. The corner-sharing octahedra tilt angles range from 0–40°. There are two shorter (2.75 Å) and four longer (3.05 Å) Ge–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two equivalent Ge2+ atoms. In the second I1- site, I1- is bonded to two equivalent Cu1+ and two equivalent Ge2+ atoms to form a mixture of distorted edge and corner-sharing ICu2Ge2 tetrahedra.},
doi = {10.17188/1653779},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}