U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V(CrC)2 by Materials Project
Abstract
VCr2C2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. V2+ is bonded to four C4- atoms to form corner-sharing VC4 tetrahedra. There is two shorter (1.98 Å) and two longer (2.01 Å) V–C bond length. Cr3+ is bonded in a 5-coordinate geometry to five C4- atoms. There are a spread of Cr–C bond distances ranging from 1.99–2.50 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a 6-coordinate geometry to two equivalent V2+ and six equivalent Cr3+ atoms. In the second C4- site, C4- is bonded to two equivalent V2+ and four equivalent Cr3+ atoms to form a mixture of corner and edge-sharing CV2Cr4 octahedra. The corner-sharing octahedral tilt angles are 53°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-4253
- 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; V(CrC)2; C-Cr-V
- OSTI Identifier:
- 1208005
- DOI:
- https://doi.org/10.17188/1208005
Citation Formats
The Materials Project. Materials Data on V(CrC)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208005.
The Materials Project. Materials Data on V(CrC)2 by Materials Project. United States. doi:https://doi.org/10.17188/1208005
The Materials Project. 2020.
"Materials Data on V(CrC)2 by Materials Project". United States. doi:https://doi.org/10.17188/1208005. https://www.osti.gov/servlets/purl/1208005. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1208005,
title = {Materials Data on V(CrC)2 by Materials Project},
author = {The Materials Project},
abstractNote = {VCr2C2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. V2+ is bonded to four C4- atoms to form corner-sharing VC4 tetrahedra. There is two shorter (1.98 Å) and two longer (2.01 Å) V–C bond length. Cr3+ is bonded in a 5-coordinate geometry to five C4- atoms. There are a spread of Cr–C bond distances ranging from 1.99–2.50 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a 6-coordinate geometry to two equivalent V2+ and six equivalent Cr3+ atoms. In the second C4- site, C4- is bonded to two equivalent V2+ and four equivalent Cr3+ atoms to form a mixture of corner and edge-sharing CV2Cr4 octahedra. The corner-sharing octahedral tilt angles are 53°.},
doi = {10.17188/1208005},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}
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