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Title: Materials Data on InGaN2 by Materials Project

Abstract

InGaN2 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. In3+ is bonded to four N3- atoms to form InN4 tetrahedra that share corners with six equivalent InN4 tetrahedra and corners with six equivalent GaN4 tetrahedra. There are three shorter (2.13 Å) and one longer (2.20 Å) In–N bond lengths. Ga3+ is bonded to four N3- atoms to form GaN4 tetrahedra that share corners with six equivalent InN4 tetrahedra and corners with six equivalent GaN4 tetrahedra. There is one shorter (1.94 Å) and three longer (2.05 Å) Ga–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent In3+ and one Ga3+ atom to form corner-sharing NIn3Ga tetrahedra. In the second N3- site, N3- is bonded to one In3+ and three equivalent Ga3+ atoms to form corner-sharing NInGa3 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1223660
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; InGaN2; Ga-In-N
OSTI Identifier:
1758327
DOI:
https://doi.org/10.17188/1758327

Citation Formats

The Materials Project. Materials Data on InGaN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758327.
The Materials Project. Materials Data on InGaN2 by Materials Project. United States. doi:https://doi.org/10.17188/1758327
The Materials Project. 2020. "Materials Data on InGaN2 by Materials Project". United States. doi:https://doi.org/10.17188/1758327. https://www.osti.gov/servlets/purl/1758327. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758327,
title = {Materials Data on InGaN2 by Materials Project},
author = {The Materials Project},
abstractNote = {InGaN2 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. In3+ is bonded to four N3- atoms to form InN4 tetrahedra that share corners with six equivalent InN4 tetrahedra and corners with six equivalent GaN4 tetrahedra. There are three shorter (2.13 Å) and one longer (2.20 Å) In–N bond lengths. Ga3+ is bonded to four N3- atoms to form GaN4 tetrahedra that share corners with six equivalent InN4 tetrahedra and corners with six equivalent GaN4 tetrahedra. There is one shorter (1.94 Å) and three longer (2.05 Å) Ga–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent In3+ and one Ga3+ atom to form corner-sharing NIn3Ga tetrahedra. In the second N3- site, N3- is bonded to one In3+ and three equivalent Ga3+ atoms to form corner-sharing NInGa3 tetrahedra.},
doi = {10.17188/1758327},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}