U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdGa4Ni by Materials Project
Abstract
NdNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen Ga atoms. Both Nd–Ni bond lengths are 3.26 Å. There are a spread of Nd–Ga bond distances ranging from 2.96–3.34 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Nd and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.34–2.54 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Nd and six Ga atoms. There are four shorter (2.90 Å) and two longer (2.94 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to three equivalent Nd, one Ni, and eight Ga atoms. All Ga–Ga bond lengths are 3.04 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Nd, three equivalent Ni, and six Ga atoms. There are one shorter (2.59 Å) and two longer (2.96 Å) Ga–Ga bond lengths.
- Publication Date:
- Other Number(s):
- mp-1102540
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ga-Nd-Ni; NdGa4Ni; crystal structure
- OSTI Identifier:
- 1716869
- DOI:
- https://doi.org/10.17188/1716869
Citation Formats
Materials Data on NdGa4Ni by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1716869.
Materials Data on NdGa4Ni by Materials Project. United States. doi:https://doi.org/10.17188/1716869
2018.
"Materials Data on NdGa4Ni by Materials Project". United States. doi:https://doi.org/10.17188/1716869. https://www.osti.gov/servlets/purl/1716869. Pub date:Wed Jul 18 04:00:00 UTC 2018
@article{osti_1716869,
title = {Materials Data on NdGa4Ni by Materials Project},
abstractNote = {NdNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen Ga atoms. Both Nd–Ni bond lengths are 3.26 Å. There are a spread of Nd–Ga bond distances ranging from 2.96–3.34 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Nd and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.34–2.54 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Nd and six Ga atoms. There are four shorter (2.90 Å) and two longer (2.94 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to three equivalent Nd, one Ni, and eight Ga atoms. All Ga–Ga bond lengths are 3.04 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Nd, three equivalent Ni, and six Ga atoms. There are one shorter (2.59 Å) and two longer (2.96 Å) Ga–Ga bond lengths.},
doi = {10.17188/1716869},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}