Materials Data on IrN2 by Materials Project
IrN2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ir4+ is bonded to six equivalent N2- atoms to form IrN6 octahedra that share corners with eight equivalent IrN6 octahedra, corners with six equivalent NIr3N tetrahedra, and edges with two equivalent IrN6 octahedra. The corner-sharing octahedral tilt angles are 67°. There are two shorter (2.08 Å) and four longer (2.11 Å) Ir–N bond lengths. N2- is bonded to three equivalent Ir4+ and one N2- atom to form distorted NIr3N tetrahedra that share corners with three equivalent IrN6 octahedra, corners with thirteen equivalent NIr3N tetrahedra, and an edgeedge with one NIr3N tetrahedra. The corner-sharing octahedra tilt angles range from 64–66°. The N–N bond length is 1.38 Å.
- 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:
- 1189371
- Report Number(s):
- mp-13076
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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