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Title: Materials Data on ZnInGeAs3 by Materials Project

Abstract

ZnInGeAs3 is Stannite-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Zn2+ is bonded to four As3- atoms to form ZnAs4 tetrahedra that share corners with two equivalent ZnAs4 tetrahedra, corners with five equivalent InAs4 tetrahedra, and corners with five equivalent GeAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.47–2.52 Å. In3+ is bonded to four As3- atoms to form InAs4 tetrahedra that share corners with two equivalent InAs4 tetrahedra, corners with five equivalent ZnAs4 tetrahedra, and corners with five equivalent GeAs4 tetrahedra. There are a spread of In–As bond distances ranging from 2.65–2.69 Å. Ge4+ is bonded to four As3- atoms to form GeAs4 tetrahedra that share corners with two equivalent GeAs4 tetrahedra, corners with five equivalent ZnAs4 tetrahedra, and corners with five equivalent InAs4 tetrahedra. There are a spread of Ge–As bond distances ranging from 2.45–2.55 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded to two equivalent Zn2+, one In3+, and one Ge4+ atom to form corner-sharing AsZn2InGe tetrahedra. In the second As3- site, As3- is bonded to one Zn2+, two equivalent In3+, and one Ge4+ atom to form corner-sharing AsZnIn2Ge tetrahedra.more » In the third As3- site, As3- is bonded to one Zn2+, one In3+, and two equivalent Ge4+ atoms to form corner-sharing AsZnInGe2 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1215628
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; ZnInGeAs3; As-Ge-In-Zn
OSTI Identifier:
1718767
DOI:
https://doi.org/10.17188/1718767

Citation Formats

The Materials Project. Materials Data on ZnInGeAs3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1718767.
The Materials Project. Materials Data on ZnInGeAs3 by Materials Project. United States. doi:https://doi.org/10.17188/1718767
The Materials Project. 2019. "Materials Data on ZnInGeAs3 by Materials Project". United States. doi:https://doi.org/10.17188/1718767. https://www.osti.gov/servlets/purl/1718767. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1718767,
title = {Materials Data on ZnInGeAs3 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnInGeAs3 is Stannite-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Zn2+ is bonded to four As3- atoms to form ZnAs4 tetrahedra that share corners with two equivalent ZnAs4 tetrahedra, corners with five equivalent InAs4 tetrahedra, and corners with five equivalent GeAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.47–2.52 Å. In3+ is bonded to four As3- atoms to form InAs4 tetrahedra that share corners with two equivalent InAs4 tetrahedra, corners with five equivalent ZnAs4 tetrahedra, and corners with five equivalent GeAs4 tetrahedra. There are a spread of In–As bond distances ranging from 2.65–2.69 Å. Ge4+ is bonded to four As3- atoms to form GeAs4 tetrahedra that share corners with two equivalent GeAs4 tetrahedra, corners with five equivalent ZnAs4 tetrahedra, and corners with five equivalent InAs4 tetrahedra. There are a spread of Ge–As bond distances ranging from 2.45–2.55 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded to two equivalent Zn2+, one In3+, and one Ge4+ atom to form corner-sharing AsZn2InGe tetrahedra. In the second As3- site, As3- is bonded to one Zn2+, two equivalent In3+, and one Ge4+ atom to form corner-sharing AsZnIn2Ge tetrahedra. In the third As3- site, As3- is bonded to one Zn2+, one In3+, and two equivalent Ge4+ atoms to form corner-sharing AsZnInGe2 tetrahedra.},
doi = {10.17188/1718767},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}