Materials Data on Er(VFe5)2 by Materials Project
ErFe10V2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to two equivalent V and eighteen Fe atoms. Both Er–V bond lengths are 3.04 Å. There are a spread of Er–Fe bond distances ranging from 3.01–3.21 Å. V is bonded in a 10-coordinate geometry to one Er, one V, and twelve Fe atoms. The V–V bond length is 2.40 Å. There are a spread of V–Fe bond distances ranging from 2.58–2.89 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Er, two equivalent V, and eight Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeEr2V2Fe8 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.43–2.70 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Er, two equivalent V, and eight Fe atoms. There are four shorter (2.42 Å) and two longer (2.61 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to two equivalent Er, two equivalent V, and eight Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeEr2V2Fe8 cuboctahedra. There are two shorter (2.34 Å) and two longer (2.59 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Er, four equivalent V, and nine Fe atoms. The Fe–Fe bond length is 2.39 Å.
- 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:
- 1723936
- Report Number(s):
- mp-1225091
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Gd(VFe5)2 by Materials Project
Materials Data on Lu(VFe5)2 by Materials Project
Materials Data on Dy(VFe5)2 by Materials Project
Dataset
·
Sat Jan 12 23:00:00 EST 2019
·
OSTI ID:1729390
Materials Data on Lu(VFe5)2 by Materials Project
Dataset
·
Fri Jan 11 23:00:00 EST 2019
·
OSTI ID:1716452
Materials Data on Dy(VFe5)2 by Materials Project
Dataset
·
Sat Jan 12 23:00:00 EST 2019
·
OSTI ID:1653643