U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y2FeC4 by Materials Project
Abstract
Y2FeC4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Y3+ is bonded in a 7-coordinate geometry to seven C2- atoms. There are a spread of Y–C bond distances ranging from 2.41–2.69 Å. Fe2+ is bonded to four equivalent C2- atoms to form distorted FeC4 trigonal pyramids that share corners with four equivalent CY5C octahedra and edges with two equivalent FeC4 trigonal pyramids. The corner-sharing octahedral tilt angles are 42°. All Fe–C bond lengths are 1.92 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded to five equivalent Y3+ and one C2- atom to form distorted CY5C octahedra that share corners with six equivalent CY5C octahedra, corners with two equivalent FeC4 trigonal pyramids, and edges with seven equivalent CY5C octahedra. The corner-sharing octahedra tilt angles range from 8–54°. The C–C bond length is 1.38 Å. In the second C2- site, C2- is bonded in a 5-coordinate geometry to two equivalent Y3+, two equivalent Fe2+, and one C2- atom.
- Publication Date:
- Other Number(s):
- mp-1103537
- 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-Fe-Y; Y2FeC4; crystal structure
- OSTI Identifier:
- 1685689
- DOI:
- https://doi.org/10.17188/1685689
Citation Formats
Materials Data on Y2FeC4 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1685689.
Materials Data on Y2FeC4 by Materials Project. United States. doi:https://doi.org/10.17188/1685689
2018.
"Materials Data on Y2FeC4 by Materials Project". United States. doi:https://doi.org/10.17188/1685689. https://www.osti.gov/servlets/purl/1685689. Pub date:Wed Jul 18 04:00:00 UTC 2018
@article{osti_1685689,
title = {Materials Data on Y2FeC4 by Materials Project},
abstractNote = {Y2FeC4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Y3+ is bonded in a 7-coordinate geometry to seven C2- atoms. There are a spread of Y–C bond distances ranging from 2.41–2.69 Å. Fe2+ is bonded to four equivalent C2- atoms to form distorted FeC4 trigonal pyramids that share corners with four equivalent CY5C octahedra and edges with two equivalent FeC4 trigonal pyramids. The corner-sharing octahedral tilt angles are 42°. All Fe–C bond lengths are 1.92 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded to five equivalent Y3+ and one C2- atom to form distorted CY5C octahedra that share corners with six equivalent CY5C octahedra, corners with two equivalent FeC4 trigonal pyramids, and edges with seven equivalent CY5C octahedra. The corner-sharing octahedra tilt angles range from 8–54°. The C–C bond length is 1.38 Å. In the second C2- site, C2- is bonded in a 5-coordinate geometry to two equivalent Y3+, two equivalent Fe2+, and one C2- atom.},
doi = {10.17188/1685689},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}