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Title: Materials Data on GaNi2 by Materials Project

Abstract

NiNiGa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ni is bonded to nine equivalent Ni and three equivalent Ga atoms to form distorted NiGa3Ni9 cuboctahedra that share corners with three equivalent GaGa6Ni6 cuboctahedra, corners with nine equivalent NiGa3Ni9 cuboctahedra, edges with nine equivalent GaGa6Ni6 cuboctahedra, edges with fifteen equivalent NiGa3Ni9 cuboctahedra, faces with six equivalent GaGa6Ni6 cuboctahedra, and faces with twelve equivalent NiGa3Ni9 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.50–2.74 Å. There are two shorter (2.48 Å) and one longer (2.50 Å) Ni–Ga bond lengths. Ga is bonded to six equivalent Ni and six equivalent Ga atoms to form distorted GaGa6Ni6 cuboctahedra that share corners with six equivalent NiGa3Ni9 cuboctahedra, corners with six equivalent GaGa6Ni6 cuboctahedra, edges with six equivalent GaGa6Ni6 cuboctahedra, edges with eighteen equivalent NiGa3Ni9 cuboctahedra, faces with six equivalent GaGa6Ni6 cuboctahedra, and faces with twelve equivalent NiGa3Ni9 cuboctahedra. There are four shorter (2.67 Å) and two longer (2.74 Å) Ga–Ga bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-1224858
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; GaNi2; Ga-Ni
OSTI Identifier:
1705940
DOI:
https://doi.org/10.17188/1705940

Citation Formats

The Materials Project. Materials Data on GaNi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705940.
The Materials Project. Materials Data on GaNi2 by Materials Project. United States. doi:https://doi.org/10.17188/1705940
The Materials Project. 2020. "Materials Data on GaNi2 by Materials Project". United States. doi:https://doi.org/10.17188/1705940. https://www.osti.gov/servlets/purl/1705940. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1705940,
title = {Materials Data on GaNi2 by Materials Project},
author = {The Materials Project},
abstractNote = {NiNiGa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ni is bonded to nine equivalent Ni and three equivalent Ga atoms to form distorted NiGa3Ni9 cuboctahedra that share corners with three equivalent GaGa6Ni6 cuboctahedra, corners with nine equivalent NiGa3Ni9 cuboctahedra, edges with nine equivalent GaGa6Ni6 cuboctahedra, edges with fifteen equivalent NiGa3Ni9 cuboctahedra, faces with six equivalent GaGa6Ni6 cuboctahedra, and faces with twelve equivalent NiGa3Ni9 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.50–2.74 Å. There are two shorter (2.48 Å) and one longer (2.50 Å) Ni–Ga bond lengths. Ga is bonded to six equivalent Ni and six equivalent Ga atoms to form distorted GaGa6Ni6 cuboctahedra that share corners with six equivalent NiGa3Ni9 cuboctahedra, corners with six equivalent GaGa6Ni6 cuboctahedra, edges with six equivalent GaGa6Ni6 cuboctahedra, edges with eighteen equivalent NiGa3Ni9 cuboctahedra, faces with six equivalent GaGa6Ni6 cuboctahedra, and faces with twelve equivalent NiGa3Ni9 cuboctahedra. There are four shorter (2.67 Å) and two longer (2.74 Å) Ga–Ga bond lengths.},
doi = {10.17188/1705940},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}