U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on IrN2 by Materials Project
Abstract
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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-13076
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; IrN2; Ir-N
- OSTI Identifier:
- 1189371
- DOI:
- https://doi.org/10.17188/1189371
Citation Formats
The Materials Project. Materials Data on IrN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189371.
The Materials Project. Materials Data on IrN2 by Materials Project. United States. doi:https://doi.org/10.17188/1189371
The Materials Project. 2020.
"Materials Data on IrN2 by Materials Project". United States. doi:https://doi.org/10.17188/1189371. https://www.osti.gov/servlets/purl/1189371. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1189371,
title = {Materials Data on IrN2 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1189371},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}