U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on IrN2 by Materials Project
Abstract
IrN2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ir4+ is bonded to six N2- atoms to form IrN6 octahedra that share corners with eight equivalent IrN6 octahedra, corners with six NIr3N tetrahedra, and edges with two equivalent IrN6 octahedra. The corner-sharing octahedra tilt angles range from 65–69°. There are a spread of Ir–N bond distances ranging from 2.05–2.13 Å. There are two inequivalent N2- sites. In the first N2- site, 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 NIr3N tetrahedra, and an edgeedge with one NIr3N tetrahedra. The corner-sharing octahedra tilt angles range from 67–70°. The N–N bond length is 1.43 Å. In the second N2- site, N2- is bonded to three equivalent Ir4+ and one N2- atom to form NIr3N tetrahedra that share corners with three equivalent IrN6 octahedra, corners with thirteen NIr3N tetrahedra, and an edgeedge with one NIr3N tetrahedra. The corner-sharing octahedra tilt angles range from 64–66°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-415
- 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:
- 1207893
- DOI:
- https://doi.org/10.17188/1207893
Citation Formats
The Materials Project. Materials Data on IrN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207893.
The Materials Project. Materials Data on IrN2 by Materials Project. United States. doi:https://doi.org/10.17188/1207893
The Materials Project. 2020.
"Materials Data on IrN2 by Materials Project". United States. doi:https://doi.org/10.17188/1207893. https://www.osti.gov/servlets/purl/1207893. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1207893,
title = {Materials Data on IrN2 by Materials Project},
author = {The Materials Project},
abstractNote = {IrN2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ir4+ is bonded to six N2- atoms to form IrN6 octahedra that share corners with eight equivalent IrN6 octahedra, corners with six NIr3N tetrahedra, and edges with two equivalent IrN6 octahedra. The corner-sharing octahedra tilt angles range from 65–69°. There are a spread of Ir–N bond distances ranging from 2.05–2.13 Å. There are two inequivalent N2- sites. In the first N2- site, 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 NIr3N tetrahedra, and an edgeedge with one NIr3N tetrahedra. The corner-sharing octahedra tilt angles range from 67–70°. The N–N bond length is 1.43 Å. In the second N2- site, N2- is bonded to three equivalent Ir4+ and one N2- atom to form NIr3N tetrahedra that share corners with three equivalent IrN6 octahedra, corners with thirteen NIr3N tetrahedra, and an edgeedge with one NIr3N tetrahedra. The corner-sharing octahedra tilt angles range from 64–66°.},
doi = {10.17188/1207893},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}