U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er2Re2Si2C by Materials Project
Abstract
Er2Re2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Er–Si bond distances ranging from 3.00–3.13 Å. Both Er–C bond lengths are 2.62 Å. Re3+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.45 Å) and one longer (2.48 Å) Re–Si bond lengths. The Re–C bond length is 1.94 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Er3+, three equivalent Re3+, and one Si4- atom. The Si–Si bond length is 2.52 Å. C4- is bonded to four equivalent Er3+ and two equivalent Re3+ atoms to form edge-sharing CEr4Re2 octahedra.
- Publication Date:
- Other Number(s):
- mp-1025362
- 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-Er-Re-Si; Er2Re2Si2C; crystal structure
- OSTI Identifier:
- 1355539
- DOI:
- https://doi.org/10.17188/1355539
Citation Formats
Materials Data on Er2Re2Si2C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355539.
Materials Data on Er2Re2Si2C by Materials Project. United States. doi:https://doi.org/10.17188/1355539
2020.
"Materials Data on Er2Re2Si2C by Materials Project". United States. doi:https://doi.org/10.17188/1355539. https://www.osti.gov/servlets/purl/1355539. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1355539,
title = {Materials Data on Er2Re2Si2C by Materials Project},
abstractNote = {Er2Re2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Er–Si bond distances ranging from 3.00–3.13 Å. Both Er–C bond lengths are 2.62 Å. Re3+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.45 Å) and one longer (2.48 Å) Re–Si bond lengths. The Re–C bond length is 1.94 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Er3+, three equivalent Re3+, and one Si4- atom. The Si–Si bond length is 2.52 Å. C4- is bonded to four equivalent Er3+ and two equivalent Re3+ atoms to form edge-sharing CEr4Re2 octahedra.},
doi = {10.17188/1355539},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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