U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CrN2 by Materials Project
Abstract
CrN2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.58–1.86 Å. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.67–1.84 Å. In the third Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.67–1.81 Å. In the fourth Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.68–1.86 Å. There are eight inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the second N3- site, N3- is bonded in a single-bond geometry to one Cr6+ atom. In the third N3- site, N3- is bonded in a water-like geometry to two Cr6+ atoms. In the fourth N3- site, N3- is bonded in amore »
- Publication Date:
- Other Number(s):
- mp-1016063
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cr-N; CrN2; crystal structure
- OSTI Identifier:
- 1337385
- DOI:
- https://doi.org/10.17188/1337385
Citation Formats
Materials Data on CrN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1337385.
Materials Data on CrN2 by Materials Project. United States. doi:https://doi.org/10.17188/1337385
2020.
"Materials Data on CrN2 by Materials Project". United States. doi:https://doi.org/10.17188/1337385. https://www.osti.gov/servlets/purl/1337385. Pub date:Wed Jul 22 04:00:00 UTC 2020
@article{osti_1337385,
title = {Materials Data on CrN2 by Materials Project},
abstractNote = {CrN2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.58–1.86 Å. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.67–1.84 Å. In the third Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.67–1.81 Å. In the fourth Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.68–1.86 Å. There are eight inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the second N3- site, N3- is bonded in a single-bond geometry to one Cr6+ atom. In the third N3- site, N3- is bonded in a water-like geometry to two Cr6+ atoms. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the fifth N3- site, N3- is bonded in a linear geometry to two Cr6+ atoms. In the sixth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the seventh N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to three Cr6+ atoms. In the eighth N3- site, N3- is bonded in a bent 120 degrees geometry to two Cr6+ atoms.},
doi = {10.17188/1337385},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}