U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ti2(Ni7B2)3 by Materials Project
Abstract
Ni21Ti2B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All Ti–Ni bond lengths are 2.42 Å. 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 2.52 Å. In the second Ni site, Ni is bonded to one Ti and three equivalent B atoms to form a mixture of edge and corner-sharing NiTiB3 tetrahedra. All Ni–B bond lengths are 2.10 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 2.06 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.
- Publication Date:
- Other Number(s):
- mp-1193180
- 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-Ni-Ti; Ti2(Ni7B2)3; crystal structure
- OSTI Identifier:
- 1746931
- DOI:
- https://doi.org/10.17188/1746931
Citation Formats
Materials Data on Ti2(Ni7B2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1746931.
Materials Data on Ti2(Ni7B2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1746931
2020.
"Materials Data on Ti2(Ni7B2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1746931. https://www.osti.gov/servlets/purl/1746931. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1746931,
title = {Materials Data on Ti2(Ni7B2)3 by Materials Project},
abstractNote = {Ni21Ti2B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All Ti–Ni bond lengths are 2.42 Å. 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 2.52 Å. In the second Ni site, Ni is bonded to one Ti and three equivalent B atoms to form a mixture of edge and corner-sharing NiTiB3 tetrahedra. All Ni–B bond lengths are 2.10 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 2.06 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.},
doi = {10.17188/1746931},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}