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Title: Materials Data on In3GaN4 by Materials Project

Abstract

In3GaN4 is Enargite-like structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. In3+ is bonded to four N3- atoms to form InN4 tetrahedra that share corners with four equivalent GaN4 tetrahedra and corners with eight equivalent InN4 tetrahedra. There are one shorter (2.16 Å) and three longer (2.19 Å) In–N bond lengths. Ga3+ is bonded to four N3- atoms to form GaN4 tetrahedra that share corners with twelve equivalent InN4 tetrahedra. There is one shorter (1.97 Å) and three longer (1.99 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 three equivalent In3+ and one Ga3+ atom to form corner-sharing NIn3Ga tetrahedra.

Publication Date:
Other Number(s):
mp-1120750
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; In3GaN4; Ga-In-N
OSTI Identifier:
1680274
DOI:
https://doi.org/10.17188/1680274

Citation Formats

The Materials Project. Materials Data on In3GaN4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680274.
The Materials Project. Materials Data on In3GaN4 by Materials Project. United States. doi:https://doi.org/10.17188/1680274
The Materials Project. 2020. "Materials Data on In3GaN4 by Materials Project". United States. doi:https://doi.org/10.17188/1680274. https://www.osti.gov/servlets/purl/1680274. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1680274,
title = {Materials Data on In3GaN4 by Materials Project},
author = {The Materials Project},
abstractNote = {In3GaN4 is Enargite-like structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. In3+ is bonded to four N3- atoms to form InN4 tetrahedra that share corners with four equivalent GaN4 tetrahedra and corners with eight equivalent InN4 tetrahedra. There are one shorter (2.16 Å) and three longer (2.19 Å) In–N bond lengths. Ga3+ is bonded to four N3- atoms to form GaN4 tetrahedra that share corners with twelve equivalent InN4 tetrahedra. There is one shorter (1.97 Å) and three longer (1.99 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 three equivalent In3+ and one Ga3+ atom to form corner-sharing NIn3Ga tetrahedra.},
doi = {10.17188/1680274},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}