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Title: Materials Data on GaNi2 by Materials Project

Abstract

NiNiGa crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to eight Ni and six equivalent Ga atoms. There are two shorter (2.51 Å) and six longer (2.65 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.65 Å. In the second Ni site, Ni is bonded to six equivalent Ni and five equivalent Ga atoms to form a mixture of distorted face and corner-sharing NiGa5Ni6 trigonal bipyramids. There are three shorter (2.34 Å) and two longer (2.51 Å) Ni–Ga bond lengths. Ga is bonded in a 11-coordinate geometry to eleven Ni atoms.

Publication Date:
Other Number(s):
mp-570904
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; GaNi2; Ga-Ni
OSTI Identifier:
1275996
DOI:
https://doi.org/10.17188/1275996

Citation Formats

The Materials Project. Materials Data on GaNi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275996.
The Materials Project. Materials Data on GaNi2 by Materials Project. United States. doi:https://doi.org/10.17188/1275996
The Materials Project. 2020. "Materials Data on GaNi2 by Materials Project". United States. doi:https://doi.org/10.17188/1275996. https://www.osti.gov/servlets/purl/1275996. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275996,
title = {Materials Data on GaNi2 by Materials Project},
author = {The Materials Project},
abstractNote = {NiNiGa crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to eight Ni and six equivalent Ga atoms. There are two shorter (2.51 Å) and six longer (2.65 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.65 Å. In the second Ni site, Ni is bonded to six equivalent Ni and five equivalent Ga atoms to form a mixture of distorted face and corner-sharing NiGa5Ni6 trigonal bipyramids. There are three shorter (2.34 Å) and two longer (2.51 Å) Ni–Ga bond lengths. Ga is bonded in a 11-coordinate geometry to eleven Ni atoms.},
doi = {10.17188/1275996},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}