Materials Data on Nd(FeAs3)4 by Materials Project
Nd(FeAs3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent As+1.25- atoms to form NdAs12 cuboctahedra that share faces with eight equivalent FeAs6 octahedra. All Nd–As bond lengths are 3.15 Å. Fe3+ is bonded to six equivalent As+1.25- atoms to form FeAs6 octahedra that share corners with six equivalent FeAs6 octahedra and faces with two equivalent NdAs12 cuboctahedra. The corner-sharing octahedral tilt angles are 56°. All Fe–As bond lengths are 2.36 Å. As+1.25- is bonded in a 2-coordinate geometry to one Nd3+, two equivalent Fe3+, and two equivalent As+1.25- atoms. There are one shorter (2.61 Å) and one longer (2.64 Å) As–As bond lengths.
- 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:
- 1746802
- Report Number(s):
- mp-1209892
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Pr(FeAs3)4 by Materials Project
Materials Data on La(FeAs3)4 by Materials Project
Materials Data on Ce(FeAs3)4 by Materials Project
Dataset
·
Mon May 04 00:00:00 EDT 2020
·
OSTI ID:1751705
Materials Data on La(FeAs3)4 by Materials Project
Dataset
·
Wed Jul 15 00:00:00 EDT 2020
·
OSTI ID:1198374
Materials Data on Ce(FeAs3)4 by Materials Project
Dataset
·
Tue Jul 14 00:00:00 EDT 2020
·
OSTI ID:1351433