U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Gd2ReC2 by Materials Project
Abstract
Gd2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Gd–C bond distances ranging from 2.55–2.73 Å. In the second Gd site, Gd is bonded to five C atoms to form a mixture of corner and edge-sharing GdC5 square pyramids. There are a spread of Gd–C bond distances ranging from 2.53–2.61 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 1.93–2.04 Å. There are two inequivalent C sites. In the first C site, C is bonded to four Gd and two equivalent Re atoms to form a mixture of corner and edge-sharing CGd4Re2 octahedra. The corner-sharing octahedra tilt angles range from 12–40°. In the second C site, C is bonded to five Gd and one Re atom to form a mixture of corner and edge-sharing CGd5Re octahedra. The corner-sharing octahedra tilt angles range from 3–40°.
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1310293
- Report Number(s):
- mp-864979
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Gd2ReC2; C-Gd-Re
Citation Formats
The Materials Project. Materials Data on Gd2ReC2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1310293.
The Materials Project. Materials Data on Gd2ReC2 by Materials Project. United States. https://doi.org/10.17188/1310293
The Materials Project. 2020.
"Materials Data on Gd2ReC2 by Materials Project". United States. https://doi.org/10.17188/1310293. https://www.osti.gov/servlets/purl/1310293.
@article{osti_1310293,
title = {Materials Data on Gd2ReC2 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Gd–C bond distances ranging from 2.55–2.73 Å. In the second Gd site, Gd is bonded to five C atoms to form a mixture of corner and edge-sharing GdC5 square pyramids. There are a spread of Gd–C bond distances ranging from 2.53–2.61 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 1.93–2.04 Å. There are two inequivalent C sites. In the first C site, C is bonded to four Gd and two equivalent Re atoms to form a mixture of corner and edge-sharing CGd4Re2 octahedra. The corner-sharing octahedra tilt angles range from 12–40°. In the second C site, C is bonded to five Gd and one Re atom to form a mixture of corner and edge-sharing CGd5Re octahedra. The corner-sharing octahedra tilt angles range from 3–40°.},
doi = {10.17188/1310293},
url = {https://www.osti.gov/biblio/1310293},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}