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Title: Materials Data on Sc3RhC4 by Materials Project

Abstract

Sc3RhC4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to eight C3- atoms to form ScC8 hexagonal bipyramids that share corners with eight CSc5RhC pentagonal bipyramids and faces with two equivalent ScC8 hexagonal bipyramids. There are four shorter (2.40 Å) and four longer (2.47 Å) Sc–C bond lengths. In the second Sc3+ site, Sc3+ is bonded in a 6-coordinate geometry to six C3- atoms. There are two shorter (2.36 Å) and four longer (2.39 Å) Sc–C bond lengths. In the third Sc3+ site, Sc3+ is bonded in a 6-coordinate geometry to six C3- atoms. There are two shorter (2.35 Å) and four longer (2.41 Å) Sc–C bond lengths. Rh3+ is bonded in a square co-planar geometry to four C3- atoms. There are two shorter (2.20 Å) and two longer (2.21 Å) Rh–C bond lengths. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded to five Sc3+, one Rh3+, and one C3- atom to form distorted CSc5RhC pentagonal bipyramids that share corners with two equivalent ScC8 hexagonal bipyramids, corners with thirteen CSc5RhC pentagonal bipyramids, edges with five CSc5RhC pentagonalmore » bipyramids, and faces with three CSc5RhC pentagonal bipyramids. The C–C bond length is 1.44 Å. In the second C3- site, C3- is bonded to five Sc3+, one Rh3+, and one C3- atom to form distorted CSc5RhC pentagonal bipyramids that share corners with two equivalent ScC8 hexagonal bipyramids, corners with thirteen CSc5RhC pentagonal bipyramids, edges with five CSc5RhC pentagonal bipyramids, and faces with three CSc5RhC pentagonal bipyramids. The C–C bond length is 1.43 Å.« less

Publication Date:
Other Number(s):
mp-567462
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sc3RhC4; C-Rh-Sc
OSTI Identifier:
1273886
DOI:
10.17188/1273886

Citation Formats

The Materials Project. Materials Data on Sc3RhC4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273886.
The Materials Project. Materials Data on Sc3RhC4 by Materials Project. United States. doi:10.17188/1273886.
The Materials Project. 2020. "Materials Data on Sc3RhC4 by Materials Project". United States. doi:10.17188/1273886. https://www.osti.gov/servlets/purl/1273886. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1273886,
title = {Materials Data on Sc3RhC4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc3RhC4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to eight C3- atoms to form ScC8 hexagonal bipyramids that share corners with eight CSc5RhC pentagonal bipyramids and faces with two equivalent ScC8 hexagonal bipyramids. There are four shorter (2.40 Å) and four longer (2.47 Å) Sc–C bond lengths. In the second Sc3+ site, Sc3+ is bonded in a 6-coordinate geometry to six C3- atoms. There are two shorter (2.36 Å) and four longer (2.39 Å) Sc–C bond lengths. In the third Sc3+ site, Sc3+ is bonded in a 6-coordinate geometry to six C3- atoms. There are two shorter (2.35 Å) and four longer (2.41 Å) Sc–C bond lengths. Rh3+ is bonded in a square co-planar geometry to four C3- atoms. There are two shorter (2.20 Å) and two longer (2.21 Å) Rh–C bond lengths. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded to five Sc3+, one Rh3+, and one C3- atom to form distorted CSc5RhC pentagonal bipyramids that share corners with two equivalent ScC8 hexagonal bipyramids, corners with thirteen CSc5RhC pentagonal bipyramids, edges with five CSc5RhC pentagonal bipyramids, and faces with three CSc5RhC pentagonal bipyramids. The C–C bond length is 1.44 Å. In the second C3- site, C3- is bonded to five Sc3+, one Rh3+, and one C3- atom to form distorted CSc5RhC pentagonal bipyramids that share corners with two equivalent ScC8 hexagonal bipyramids, corners with thirteen CSc5RhC pentagonal bipyramids, edges with five CSc5RhC pentagonal bipyramids, and faces with three CSc5RhC pentagonal bipyramids. The C–C bond length is 1.43 Å.},
doi = {10.17188/1273886},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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