U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm2ReC2 by Materials Project
Abstract
Sm2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sm+2.50+ sites. In the first Sm+2.50+ site, Sm+2.50+ is bonded in a rectangular see-saw-like geometry to four C4- atoms. There are a spread of Sm–C bond distances ranging from 2.60–2.81 Å. In the second Sm+2.50+ site, Sm+2.50+ is bonded to five C4- atoms to form a mixture of corner and edge-sharing SmC5 square pyramids. There are a spread of Sm–C bond distances ranging from 2.56–2.65 Å. Re3+ is bonded in a trigonal planar geometry to three C4- atoms. There are a spread of Re–C bond distances ranging from 1.92–2.05 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four Sm+2.50+ and two equivalent Re3+ atoms to form a mixture of corner and edge-sharing CSm4Re2 octahedra. The corner-sharing octahedra tilt angles range from 12–42°. In the second C4- site, C4- is bonded to five Sm+2.50+ and one Re3+ atom to form a mixture of corner and edge-sharing CSm5Re octahedra. The corner-sharing octahedra tilt angles range from 4–42°.
- Publication Date:
- Other Number(s):
- mp-978850
- 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-Re-Sm; Sm2ReC2; crystal structure
- OSTI Identifier:
- 1316009
- DOI:
- https://doi.org/10.17188/1316009
Citation Formats
Materials Data on Sm2ReC2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316009.
Materials Data on Sm2ReC2 by Materials Project. United States. doi:https://doi.org/10.17188/1316009
2020.
"Materials Data on Sm2ReC2 by Materials Project". United States. doi:https://doi.org/10.17188/1316009. https://www.osti.gov/servlets/purl/1316009. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1316009,
title = {Materials Data on Sm2ReC2 by Materials Project},
abstractNote = {Sm2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sm+2.50+ sites. In the first Sm+2.50+ site, Sm+2.50+ is bonded in a rectangular see-saw-like geometry to four C4- atoms. There are a spread of Sm–C bond distances ranging from 2.60–2.81 Å. In the second Sm+2.50+ site, Sm+2.50+ is bonded to five C4- atoms to form a mixture of corner and edge-sharing SmC5 square pyramids. There are a spread of Sm–C bond distances ranging from 2.56–2.65 Å. Re3+ is bonded in a trigonal planar geometry to three C4- atoms. There are a spread of Re–C bond distances ranging from 1.92–2.05 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four Sm+2.50+ and two equivalent Re3+ atoms to form a mixture of corner and edge-sharing CSm4Re2 octahedra. The corner-sharing octahedra tilt angles range from 12–42°. In the second C4- site, C4- is bonded to five Sm+2.50+ and one Re3+ atom to form a mixture of corner and edge-sharing CSm5Re octahedra. The corner-sharing octahedra tilt angles range from 4–42°.},
doi = {10.17188/1316009},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}