U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce2ReC2 by Materials Project
Abstract
Ce2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a rectangular see-saw-like geometry to four C atoms. There are a spread of Ce–C bond distances ranging from 2.61–2.64 Å. In the second Ce site, Ce is bonded to five C atoms to form a mixture of distorted corner and edge-sharing CeC5 square pyramids. There are a spread of Ce–C bond distances ranging from 2.57–2.68 Å. Re is bonded in a distorted trigonal planar geometry to three C atoms. There are a spread of Re–C bond distances ranging from 1.97–2.02 Å. There are two inequivalent C sites. In the first C site, C is bonded to five Ce and one Re atom to form a mixture of corner and edge-sharing CCe5Re octahedra. The corner-sharing octahedra tilt angles range from 6–40°. In the second C site, C is bonded to four Ce and two equivalent Re atoms to form a mixture of corner and edge-sharing CCe4Re2 octahedra. The corner-sharing octahedra tilt angles range from 9–40°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-985704
- 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; Ce2ReC2; C-Ce-Re
- OSTI Identifier:
- 1316746
- DOI:
- https://doi.org/10.17188/1316746
Citation Formats
The Materials Project. Materials Data on Ce2ReC2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316746.
The Materials Project. Materials Data on Ce2ReC2 by Materials Project. United States. doi:https://doi.org/10.17188/1316746
The Materials Project. 2020.
"Materials Data on Ce2ReC2 by Materials Project". United States. doi:https://doi.org/10.17188/1316746. https://www.osti.gov/servlets/purl/1316746. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1316746,
title = {Materials Data on Ce2ReC2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a rectangular see-saw-like geometry to four C atoms. There are a spread of Ce–C bond distances ranging from 2.61–2.64 Å. In the second Ce site, Ce is bonded to five C atoms to form a mixture of distorted corner and edge-sharing CeC5 square pyramids. There are a spread of Ce–C bond distances ranging from 2.57–2.68 Å. Re is bonded in a distorted trigonal planar geometry to three C atoms. There are a spread of Re–C bond distances ranging from 1.97–2.02 Å. There are two inequivalent C sites. In the first C site, C is bonded to five Ce and one Re atom to form a mixture of corner and edge-sharing CCe5Re octahedra. The corner-sharing octahedra tilt angles range from 6–40°. In the second C site, C is bonded to four Ce and two equivalent Re atoms to form a mixture of corner and edge-sharing CCe4Re2 octahedra. The corner-sharing octahedra tilt angles range from 9–40°.},
doi = {10.17188/1316746},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}