U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZnFe3C by Materials Project
Abstract
ZnCFe3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Zn and two equivalent C atoms. All Fe–Zn bond lengths are 2.67 Å. Both Fe–C bond lengths are 1.89 Å. Zn is bonded to twelve equivalent Fe atoms to form ZnFe12 cuboctahedra that share corners with twelve equivalent ZnFe12 cuboctahedra, faces with six equivalent ZnFe12 cuboctahedra, and faces with eight equivalent CFe6 octahedra. C is bonded to six equivalent Fe atoms to form CFe6 octahedra that share corners with six equivalent CFe6 octahedra and faces with eight equivalent ZnFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-10266
- 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-Zn; ZnFe3C; crystal structure
- OSTI Identifier:
- 1186863
- DOI:
- https://doi.org/10.17188/1186863
Citation Formats
Materials Data on ZnFe3C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1186863.
Materials Data on ZnFe3C by Materials Project. United States. doi:https://doi.org/10.17188/1186863
2020.
"Materials Data on ZnFe3C by Materials Project". United States. doi:https://doi.org/10.17188/1186863. https://www.osti.gov/servlets/purl/1186863. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1186863,
title = {Materials Data on ZnFe3C by Materials Project},
abstractNote = {ZnCFe3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Zn and two equivalent C atoms. All Fe–Zn bond lengths are 2.67 Å. Both Fe–C bond lengths are 1.89 Å. Zn is bonded to twelve equivalent Fe atoms to form ZnFe12 cuboctahedra that share corners with twelve equivalent ZnFe12 cuboctahedra, faces with six equivalent ZnFe12 cuboctahedra, and faces with eight equivalent CFe6 octahedra. C is bonded to six equivalent Fe atoms to form CFe6 octahedra that share corners with six equivalent CFe6 octahedra and faces with eight equivalent ZnFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1186863},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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