U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ga2(Ni7B2)3 by Materials Project
Abstract
Ga2(Ni7B2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. All Ni–Ni bond lengths are 2.50 Å. In the second Ni site, Ni is bonded to one Ga and three equivalent B atoms to form a mixture of distorted edge and corner-sharing NiGaB3 tetrahedra. The Ni–Ga bond length is 2.41 Å. All Ni–B bond lengths are 2.08 Å. In the third Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent B atoms. Both Ni–B bond lengths are 2.08 Å. Ga is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms.
- Publication Date:
- Other Number(s):
- mp-1193255
- 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; B-Ga-Ni; Ga2(Ni7B2)3; crystal structure
- OSTI Identifier:
- 1724009
- DOI:
- https://doi.org/10.17188/1724009
Citation Formats
Materials Data on Ga2(Ni7B2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1724009.
Materials Data on Ga2(Ni7B2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1724009
2020.
"Materials Data on Ga2(Ni7B2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1724009. https://www.osti.gov/servlets/purl/1724009. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1724009,
title = {Materials Data on Ga2(Ni7B2)3 by Materials Project},
abstractNote = {Ga2(Ni7B2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. All Ni–Ni bond lengths are 2.50 Å. In the second Ni site, Ni is bonded to one Ga and three equivalent B atoms to form a mixture of distorted edge and corner-sharing NiGaB3 tetrahedra. The Ni–Ga bond length is 2.41 Å. All Ni–B bond lengths are 2.08 Å. In the third Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent B atoms. Both Ni–B bond lengths are 2.08 Å. Ga is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms.},
doi = {10.17188/1724009},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue May 05 00:00:00 EDT 2020},
month = {Tue May 05 00:00:00 EDT 2020}
}