Materials Data on Sr3Li3(NiN)4 by Materials Project
Li3Sr3(NiN)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a linear geometry to two equivalent N atoms. Both Li–N bond lengths are 2.03 Å. In the second Li site, Li is bonded in a linear geometry to two equivalent N atoms. Both Li–N bond lengths are 2.03 Å. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 3-coordinate geometry to three N atoms. There are two shorter (2.65 Å) and one longer (2.71 Å) Sr–N bond lengths. In the second Sr site, Sr is bonded in a square co-planar geometry to four equivalent N atoms. All Sr–N bond lengths are 2.82 Å. Ni is bonded in a linear geometry to two N atoms. There is one shorter (1.76 Å) and one longer (1.77 Å) Ni–N bond length. There are two inequivalent N sites. In the first N site, N is bonded to four Sr and two equivalent Ni atoms to form a mixture of distorted edge and corner-sharing NSr4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–50°. In the second N site, N is bonded to three Li, one Sr, and two equivalent Ni atoms to form distorted corner-sharing NSrLi3Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–50°.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1274359
- Report Number(s):
- mp-568322
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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