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Title: Materials Data on CoGeAs2 by Materials Project

Abstract

CoGeAs2 is Chalcopyrite structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Co2+ is bonded to four As3- atoms to form CoAs4 tetrahedra that share corners with four equivalent CoAs4 tetrahedra and corners with eight equivalent GeAs4 tetrahedra. There are one shorter (2.26 Å) and three longer (2.27 Å) Co–As bond lengths. Ge4+ is bonded to four As3- atoms to form GeAs4 tetrahedra that share corners with four equivalent GeAs4 tetrahedra and corners with eight equivalent CoAs4 tetrahedra. All Ge–As bond lengths are 2.53 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to two equivalent Co2+ and two equivalent Ge4+ atoms to form corner-sharing AsCo2Ge2 tetrahedra. In the second As3- site, As3- is bonded to two equivalent Co2+ and two equivalent Ge4+ atoms to form corner-sharing AsCo2Ge2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1147778
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; CoGeAs2; As-Co-Ge
OSTI Identifier:
1687884
DOI:
https://doi.org/10.17188/1687884

Citation Formats

The Materials Project. Materials Data on CoGeAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687884.
The Materials Project. Materials Data on CoGeAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1687884
The Materials Project. 2020. "Materials Data on CoGeAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1687884. https://www.osti.gov/servlets/purl/1687884. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1687884,
title = {Materials Data on CoGeAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {CoGeAs2 is Chalcopyrite structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Co2+ is bonded to four As3- atoms to form CoAs4 tetrahedra that share corners with four equivalent CoAs4 tetrahedra and corners with eight equivalent GeAs4 tetrahedra. There are one shorter (2.26 Å) and three longer (2.27 Å) Co–As bond lengths. Ge4+ is bonded to four As3- atoms to form GeAs4 tetrahedra that share corners with four equivalent GeAs4 tetrahedra and corners with eight equivalent CoAs4 tetrahedra. All Ge–As bond lengths are 2.53 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to two equivalent Co2+ and two equivalent Ge4+ atoms to form corner-sharing AsCo2Ge2 tetrahedra. In the second As3- site, As3- is bonded to two equivalent Co2+ and two equivalent Ge4+ atoms to form corner-sharing AsCo2Ge2 tetrahedra.},
doi = {10.17188/1687884},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}