Materials Data on Fe3(Ni10B3)2 by Materials Project
Fe3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. All Fe–Ni bond lengths are 2.50 Å. In the second Fe site, Fe is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All Fe–Ni bond lengths are 2.41 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Fe and two equivalent B atoms. Both Ni–B bond lengths are 2.07 Å. In the second Ni site, Ni is bonded to one Fe and three equivalent B atoms to form a mixture of distorted edge and corner-sharing NiFeB3 tetrahedra. All Ni–B bond lengths are 2.09 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:
- 1731590
- Report Number(s):
- mp-1193589
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ga3(Ni10B3)2 by Materials Project
Materials Data on Zn3(Ni10B3)2 by Materials Project
Materials Data on Ta3(Ni10B3)2 by Materials Project
Dataset
·
Thu Jul 23 00:00:00 EDT 2020
·
OSTI ID:1315557
Materials Data on Zn3(Ni10B3)2 by Materials Project
Dataset
·
Sat Jul 18 00:00:00 EDT 2020
·
OSTI ID:1186662
Materials Data on Ta3(Ni10B3)2 by Materials Project
Dataset
·
Mon May 04 00:00:00 EDT 2020
·
OSTI ID:1700180