U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sc3NiC4 by Materials Project
Abstract
Sc3NiC4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sc2+ sites. In the first Sc2+ site, Sc2+ is bonded in a 6-coordinate geometry to six equivalent C2- atoms. There are two shorter (2.36 Å) and four longer (2.38 Å) Sc–C bond lengths. In the second Sc2+ site, Sc2+ is bonded to eight equivalent C2- atoms to form face-sharing ScC8 hexagonal bipyramids. All Sc–C bond lengths are 2.39 Å. Ni2+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Ni–C bond lengths are 2.08 Å. C2- is bonded in a 7-coordinate geometry to five Sc2+, one Ni2+, and one C2- atom. The C–C bond length is 1.45 Å.
- Publication Date:
- Other Number(s):
- mp-1025464
- 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; C-Ni-Sc; Sc3NiC4; crystal structure
- OSTI Identifier:
- 1355323
- DOI:
- https://doi.org/10.17188/1355323
Citation Formats
Materials Data on Sc3NiC4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355323.
Materials Data on Sc3NiC4 by Materials Project. United States. doi:https://doi.org/10.17188/1355323
2020.
"Materials Data on Sc3NiC4 by Materials Project". United States. doi:https://doi.org/10.17188/1355323. https://www.osti.gov/servlets/purl/1355323. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1355323,
title = {Materials Data on Sc3NiC4 by Materials Project},
abstractNote = {Sc3NiC4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sc2+ sites. In the first Sc2+ site, Sc2+ is bonded in a 6-coordinate geometry to six equivalent C2- atoms. There are two shorter (2.36 Å) and four longer (2.38 Å) Sc–C bond lengths. In the second Sc2+ site, Sc2+ is bonded to eight equivalent C2- atoms to form face-sharing ScC8 hexagonal bipyramids. All Sc–C bond lengths are 2.39 Å. Ni2+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Ni–C bond lengths are 2.08 Å. C2- is bonded in a 7-coordinate geometry to five Sc2+, one Ni2+, and one C2- atom. The C–C bond length is 1.45 Å.},
doi = {10.17188/1355323},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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