U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TbGa3Ni by Materials Project
Abstract
TbNiGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Ni and twelve Ga atoms. All Tb–Ni bond lengths are 3.35 Å. There are eight shorter (3.12 Å) and four longer (3.35 Å) Tb–Ga bond lengths. Ni is bonded to four equivalent Tb and eight Ga atoms to form distorted NiTb4Ga8 cuboctahedra that share corners with four equivalent GaTb4Ga4Ni4 cuboctahedra, corners with twelve equivalent NiTb4Ga8 cuboctahedra, edges with two equivalent GaTb4Ga4Ni4 cuboctahedra, faces with four equivalent NiTb4Ga8 cuboctahedra, and faces with four equivalent GaTb4Ga4Ni4 cuboctahedra. There are four shorter (2.48 Å) and four longer (2.87 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Tb, two equivalent Ni, and three Ga atoms. There are one shorter (2.47 Å) and two longer (2.48 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Tb, four equivalent Ni, and four equivalent Ga atoms to form GaTb4Ga4Ni4 cuboctahedra that share corners with four equivalent NiTb4Ga8 cuboctahedra, corners with twelve equivalent GaTb4Ga4Ni4 cuboctahedra, edges with two equivalent NiTb4Ga8 cuboctahedra, faces withmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1217527
- 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; TbGa3Ni; Ga-Ni-Tb
- OSTI Identifier:
- 1714964
- DOI:
- https://doi.org/10.17188/1714964
Citation Formats
The Materials Project. Materials Data on TbGa3Ni by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1714964.
The Materials Project. Materials Data on TbGa3Ni by Materials Project. United States. doi:https://doi.org/10.17188/1714964
The Materials Project. 2019.
"Materials Data on TbGa3Ni by Materials Project". United States. doi:https://doi.org/10.17188/1714964. https://www.osti.gov/servlets/purl/1714964. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1714964,
title = {Materials Data on TbGa3Ni by Materials Project},
author = {The Materials Project},
abstractNote = {TbNiGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Ni and twelve Ga atoms. All Tb–Ni bond lengths are 3.35 Å. There are eight shorter (3.12 Å) and four longer (3.35 Å) Tb–Ga bond lengths. Ni is bonded to four equivalent Tb and eight Ga atoms to form distorted NiTb4Ga8 cuboctahedra that share corners with four equivalent GaTb4Ga4Ni4 cuboctahedra, corners with twelve equivalent NiTb4Ga8 cuboctahedra, edges with two equivalent GaTb4Ga4Ni4 cuboctahedra, faces with four equivalent NiTb4Ga8 cuboctahedra, and faces with four equivalent GaTb4Ga4Ni4 cuboctahedra. There are four shorter (2.48 Å) and four longer (2.87 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Tb, two equivalent Ni, and three Ga atoms. There are one shorter (2.47 Å) and two longer (2.48 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Tb, four equivalent Ni, and four equivalent Ga atoms to form GaTb4Ga4Ni4 cuboctahedra that share corners with four equivalent NiTb4Ga8 cuboctahedra, corners with twelve equivalent GaTb4Ga4Ni4 cuboctahedra, edges with two equivalent NiTb4Ga8 cuboctahedra, faces with four equivalent NiTb4Ga8 cuboctahedra, and faces with four equivalent GaTb4Ga4Ni4 cuboctahedra.},
doi = {10.17188/1714964},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}