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Title: Materials Data on Ga3SiNi4 by Materials Project

Abstract

Ni4Ga3Si crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to six equivalent Ga and one Si atom. There are three shorter (2.44 Å) and three longer (2.56 Å) Ni–Ga bond lengths. The Ni–Si bond length is 2.30 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to five equivalent Ga and two equivalent Si atoms. There are a spread of Ni–Ga bond distances ranging from 2.42–2.54 Å. There are one shorter (2.37 Å) and one longer (2.56 Å) Ni–Si bond lengths. Ga is bonded in a 7-coordinate geometry to seven Ni and two equivalent Si atoms. Both Ga–Si bond lengths are 2.87 Å. Si is bonded in a 7-coordinate geometry to seven Ni and six equivalent Ga atoms.

Publication Date:
Other Number(s):
mp-1224819
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; Ga3SiNi4; Ga-Ni-Si
OSTI Identifier:
1746966
DOI:
https://doi.org/10.17188/1746966

Citation Formats

The Materials Project. Materials Data on Ga3SiNi4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746966.
The Materials Project. Materials Data on Ga3SiNi4 by Materials Project. United States. doi:https://doi.org/10.17188/1746966
The Materials Project. 2020. "Materials Data on Ga3SiNi4 by Materials Project". United States. doi:https://doi.org/10.17188/1746966. https://www.osti.gov/servlets/purl/1746966. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746966,
title = {Materials Data on Ga3SiNi4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni4Ga3Si crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to six equivalent Ga and one Si atom. There are three shorter (2.44 Å) and three longer (2.56 Å) Ni–Ga bond lengths. The Ni–Si bond length is 2.30 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to five equivalent Ga and two equivalent Si atoms. There are a spread of Ni–Ga bond distances ranging from 2.42–2.54 Å. There are one shorter (2.37 Å) and one longer (2.56 Å) Ni–Si bond lengths. Ga is bonded in a 7-coordinate geometry to seven Ni and two equivalent Si atoms. Both Ga–Si bond lengths are 2.87 Å. Si is bonded in a 7-coordinate geometry to seven Ni and six equivalent Ga atoms.},
doi = {10.17188/1746966},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}