Materials Data on CdNi3N by Materials Project
CdNNi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a linear geometry to four equivalent Cd and two equivalent N atoms. All Ni–Cd bond lengths are 2.72 Å. Both Ni–N bond lengths are 1.92 Å. Cd is bonded to twelve equivalent Ni atoms to form CdNi12 cuboctahedra that share corners with twelve equivalent CdNi12 cuboctahedra, faces with six equivalent CdNi12 cuboctahedra, and faces with eight equivalent NNi6 octahedra. N is bonded to six equivalent Ni atoms to form NNi6 octahedra that share corners with six equivalent NNi6 octahedra and faces with eight equivalent CdNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- 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:
- 1349819
- Report Number(s):
- mp-1017554
- Country of Publication:
- United States
- Language:
- English
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