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Title: 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}
}