Materials Data on Sm(Mn2Ni)4 by Materials Project
Sm(Mn2Ni)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 4-coordinate geometry to sixteen Mn and four equivalent Ni atoms. There are eight shorter (3.13 Å) and eight longer (3.21 Å) Sm–Mn bond lengths. All Sm–Ni bond lengths are 2.95 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Sm, six Mn, and four equivalent Ni atoms to form a mixture of distorted face, edge, and corner-sharing MnSm2Mn6Ni4 cuboctahedra. There are two shorter (2.41 Å) and four longer (2.43 Å) Mn–Mn bond lengths. All Mn–Ni bond lengths are 2.57 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Sm, six Mn, and four equivalent Ni atoms. Both Mn–Mn bond lengths are 2.83 Å. There are two shorter (2.55 Å) and two longer (2.59 Å) Mn–Ni bond lengths. Ni is bonded in a 10-coordinate geometry to one Sm, eight Mn, and one Ni atom. The Ni–Ni bond length is 2.52 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:
- 1677393
- Report Number(s):
- mp-1103904
- Country of Publication:
- United States
- Language:
- English
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