Materials Data on Ta3(Ni10B3)2 by Materials Project
Ta3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted cuboctahedral geometry to twelve equivalent Ni atoms. All Ta–Ni bond lengths are 2.56 Å. In the second Ta site, Ta is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All Ta–Ni bond lengths are 2.46 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to one Ta and three equivalent B atoms to form a mixture of edge and corner-sharing NiTaB3 tetrahedra. All Ni–B bond lengths are 2.12 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to one Ta and two equivalent B atoms. Both Ni–B bond lengths are 2.07 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1700180
- Report Number(s):
- mp-1194177
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Nb3(Ni10B3)2 by Materials Project
Materials Data on Zn3(Ni10B3)2 by Materials Project
Materials Data on Ga3(Ni10B3)2 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1750982
Materials Data on Zn3(Ni10B3)2 by Materials Project
Dataset
·
Sat Jul 18 00:00:00 EDT 2020
·
OSTI ID:1186662
Materials Data on Ga3(Ni10B3)2 by Materials Project
Dataset
·
Thu Jul 23 00:00:00 EDT 2020
·
OSTI ID:1315557