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Title: 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°.

Authors:
Publication Date:
Other Number(s):
mp-978850
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; Sm2ReC2; C-Re-Sm
OSTI Identifier:
1316009
DOI:
https://doi.org/10.17188/1316009

Citation Formats

The Materials Project. Materials Data on Sm2ReC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316009.
The Materials Project. Materials Data on Sm2ReC2 by Materials Project. United States. doi:https://doi.org/10.17188/1316009
The Materials Project. 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},
author = {The 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}
}