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Title: Materials Data on GaSiCN by Materials Project

Abstract

GaN(SiC) is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Ga3+ is bonded to three equivalent C4- and one N3- atom to form GaC3N tetrahedra that share corners with six equivalent GaC3N tetrahedra and corners with six equivalent SiCN3 tetrahedra. There is two shorter (1.94 Å) and one longer (1.95 Å) Ga–C bond length. The Ga–N bond length is 2.26 Å. Si4+ is bonded to one C4- and three equivalent N3- atoms to form SiCN3 tetrahedra that share corners with six equivalent GaC3N tetrahedra and corners with six equivalent SiCN3 tetrahedra. The Si–C bond length is 1.77 Å. There is one shorter (1.87 Å) and two longer (1.90 Å) Si–N bond length. C4- is bonded to three equivalent Ga3+ and one Si4+ atom to form CGa3Si tetrahedra that share corners with six equivalent CGa3Si tetrahedra and corners with six equivalent NGaSi3 tetrahedra. N3- is bonded to one Ga3+ and three equivalent Si4+ atoms to form NGaSi3 tetrahedra that share corners with six equivalent CGa3Si tetrahedra and corners with six equivalent NGaSi3 tetrahedra.

Publication Date:
Other Number(s):
mp-1092268
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; GaSiCN; C-Ga-N-Si
OSTI Identifier:
1759610
DOI:
https://doi.org/10.17188/1759610

Citation Formats

The Materials Project. Materials Data on GaSiCN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759610.
The Materials Project. Materials Data on GaSiCN by Materials Project. United States. doi:https://doi.org/10.17188/1759610
The Materials Project. 2020. "Materials Data on GaSiCN by Materials Project". United States. doi:https://doi.org/10.17188/1759610. https://www.osti.gov/servlets/purl/1759610. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759610,
title = {Materials Data on GaSiCN by Materials Project},
author = {The Materials Project},
abstractNote = {GaN(SiC) is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Ga3+ is bonded to three equivalent C4- and one N3- atom to form GaC3N tetrahedra that share corners with six equivalent GaC3N tetrahedra and corners with six equivalent SiCN3 tetrahedra. There is two shorter (1.94 Å) and one longer (1.95 Å) Ga–C bond length. The Ga–N bond length is 2.26 Å. Si4+ is bonded to one C4- and three equivalent N3- atoms to form SiCN3 tetrahedra that share corners with six equivalent GaC3N tetrahedra and corners with six equivalent SiCN3 tetrahedra. The Si–C bond length is 1.77 Å. There is one shorter (1.87 Å) and two longer (1.90 Å) Si–N bond length. C4- is bonded to three equivalent Ga3+ and one Si4+ atom to form CGa3Si tetrahedra that share corners with six equivalent CGa3Si tetrahedra and corners with six equivalent NGaSi3 tetrahedra. N3- is bonded to one Ga3+ and three equivalent Si4+ atoms to form NGaSi3 tetrahedra that share corners with six equivalent CGa3Si tetrahedra and corners with six equivalent NGaSi3 tetrahedra.},
doi = {10.17188/1759610},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}