Materials Data on Nd4MgRu by Materials Project
MgNd4Ru crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Nd atoms to form a mixture of face and corner-sharing MgNd9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.15 Å. There are three shorter (3.44 Å) and six longer (3.66 Å) Mg–Nd bond lengths. There are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Ru atoms. Both Nd–Ru bond lengths are 2.86 Å. In the second Nd site, Nd is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg and two equivalent Ru atoms. Both Nd–Ru bond lengths are 3.60 Å. In the third Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Ru atoms. All Nd–Ru bond lengths are 2.95 Å. Ru is bonded in a 6-coordinate geometry to nine Nd 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:
- 1277479
- Report Number(s):
- mp-605835
- Country of Publication:
- United States
- Language:
- English
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