U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdGa3Ni by Materials Project
Abstract
NdNiGa3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Nd is bonded in a 4-coordinate geometry to four equivalent Ni and twelve Ga atoms. All Nd–Ni bond lengths are 3.34 Å. There are a spread of Nd–Ga bond distances ranging from 3.13–3.33 Å. Ni is bonded in a 5-coordinate geometry to four equivalent Nd and five Ga atoms. There are one shorter (2.32 Å) and four longer (2.38 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to four equivalent Nd, two equivalent Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.72 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Nd, one Ni, and four equivalent Ga atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1220188
- 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; NdGa3Ni; Ga-Nd-Ni
- OSTI Identifier:
- 1675818
- DOI:
- https://doi.org/10.17188/1675818
Citation Formats
The Materials Project. Materials Data on NdGa3Ni by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1675818.
The Materials Project. Materials Data on NdGa3Ni by Materials Project. United States. doi:https://doi.org/10.17188/1675818
The Materials Project. 2019.
"Materials Data on NdGa3Ni by Materials Project". United States. doi:https://doi.org/10.17188/1675818. https://www.osti.gov/servlets/purl/1675818. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1675818,
title = {Materials Data on NdGa3Ni by Materials Project},
author = {The Materials Project},
abstractNote = {NdNiGa3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Nd is bonded in a 4-coordinate geometry to four equivalent Ni and twelve Ga atoms. All Nd–Ni bond lengths are 3.34 Å. There are a spread of Nd–Ga bond distances ranging from 3.13–3.33 Å. Ni is bonded in a 5-coordinate geometry to four equivalent Nd and five Ga atoms. There are one shorter (2.32 Å) and four longer (2.38 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to four equivalent Nd, two equivalent Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.72 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Nd, one Ni, and four equivalent Ga atoms.},
doi = {10.17188/1675818},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}