Materials Data on Nd4MgRh by Materials Project
MgNd4Rh 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 corner and face-sharing MgNd9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.18 Å. There are a spread of Mg–Nd bond distances ranging from 3.42–3.66 Å. There are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Rh atoms. All Nd–Rh bond lengths are 2.91 Å. In the second Nd site, Nd is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Rh atoms. Both Nd–Rh bond lengths are 2.91 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Rh atoms. Both Nd–Rh bond lengths are 3.62 Å. Rh 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:
- 1758069
- Report Number(s):
- mp-1210030
- Country of Publication:
- United States
- Language:
- English
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