U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoN3 by Materials Project
Abstract
CoN3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Co3+ is bonded to six equivalent N1- atoms to form CoN6 octahedra that share corners with six equivalent CoN6 octahedra and corners with twelve equivalent NCo2N2 tetrahedra. The corner-sharing octahedral tilt angles are 72°. All Co–N bond lengths are 1.94 Å. N1- is bonded to two equivalent Co3+ and two equivalent N1- atoms to form distorted NCo2N2 tetrahedra that share corners with four equivalent CoN6 octahedra, corners with ten equivalent NCo2N2 tetrahedra, and an edgeedge with one NCo2N2 tetrahedra. The corner-sharing octahedra tilt angles range from 64–66°. There is one shorter (1.45 Å) and one longer (1.56 Å) N–N bond length.
- Authors:
- Publication Date:
- Other Number(s):
- mp-22762
- 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; CoN3; Co-N
- OSTI Identifier:
- 1198956
- DOI:
- https://doi.org/10.17188/1198956
Citation Formats
The Materials Project. Materials Data on CoN3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1198956.
The Materials Project. Materials Data on CoN3 by Materials Project. United States. doi:https://doi.org/10.17188/1198956
The Materials Project. 2020.
"Materials Data on CoN3 by Materials Project". United States. doi:https://doi.org/10.17188/1198956. https://www.osti.gov/servlets/purl/1198956. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1198956,
title = {Materials Data on CoN3 by Materials Project},
author = {The Materials Project},
abstractNote = {CoN3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Co3+ is bonded to six equivalent N1- atoms to form CoN6 octahedra that share corners with six equivalent CoN6 octahedra and corners with twelve equivalent NCo2N2 tetrahedra. The corner-sharing octahedral tilt angles are 72°. All Co–N bond lengths are 1.94 Å. N1- is bonded to two equivalent Co3+ and two equivalent N1- atoms to form distorted NCo2N2 tetrahedra that share corners with four equivalent CoN6 octahedra, corners with ten equivalent NCo2N2 tetrahedra, and an edgeedge with one NCo2N2 tetrahedra. The corner-sharing octahedra tilt angles range from 64–66°. There is one shorter (1.45 Å) and one longer (1.56 Å) N–N bond length.},
doi = {10.17188/1198956},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}