Materials Data on Cs2FeNi(CN)6 by Materials Project
Cs2Ni(CN)6Fe crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iron molecules and one Cs2Ni(CN)6 framework. In the Cs2Ni(CN)6 framework, Cs1+ is bonded to twelve equivalent N3- atoms to form distorted CsN12 cuboctahedra that share corners with twelve equivalent CsN12 cuboctahedra, faces with six equivalent CsN12 cuboctahedra, and faces with four equivalent NiN6 octahedra. All Cs–N bond lengths are 3.66 Å. Ni2+ is bonded to six equivalent N3- atoms to form NiN6 octahedra that share faces with eight equivalent CsN12 cuboctahedra. All Ni–N bond lengths are 2.06 Å. C+1.83+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a linear geometry to four equivalent Cs1+, one Ni2+, and one C+1.83+ atom.
- 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:
- 1276183
- Report Number(s):
- mp-571284
- Country of Publication:
- United States
- Language:
- English
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