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Title: Materials Data on Yb2FeC4 by Materials Project

Abstract

Yb2FeC4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Yb+2.50+ is bonded in a 7-coordinate geometry to nine C2- atoms. There are a spread of Yb–C bond distances ranging from 2.50–2.86 Å. Fe3+ is bonded to four equivalent C2- atoms to form distorted FeC4 trigonal pyramids that share corners with four equivalent CYb5C octahedra and edges with two equivalent FeC4 trigonal pyramids. The corner-sharing octahedral tilt angles are 41°. All Fe–C bond lengths are 1.95 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded to five equivalent Yb+2.50+ and one C2- atom to form distorted CYb5C octahedra that share corners with six equivalent CYb5C octahedra, corners with two equivalent FeC4 trigonal pyramids, and edges with seven equivalent CYb5C octahedra. The corner-sharing octahedra tilt angles range from 8–58°. The C–C bond length is 1.31 Å. In the second C2- site, C2- is bonded in a 7-coordinate geometry to four equivalent Yb+2.50+, two equivalent Fe3+, and one C2- atom.

Publication Date:
Other Number(s):
mp-1103776
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; Yb2FeC4; C-Fe-Yb
OSTI Identifier:
1743998
DOI:
https://doi.org/10.17188/1743998

Citation Formats

The Materials Project. Materials Data on Yb2FeC4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743998.
The Materials Project. Materials Data on Yb2FeC4 by Materials Project. United States. doi:https://doi.org/10.17188/1743998
The Materials Project. 2020. "Materials Data on Yb2FeC4 by Materials Project". United States. doi:https://doi.org/10.17188/1743998. https://www.osti.gov/servlets/purl/1743998. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1743998,
title = {Materials Data on Yb2FeC4 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb2FeC4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Yb+2.50+ is bonded in a 7-coordinate geometry to nine C2- atoms. There are a spread of Yb–C bond distances ranging from 2.50–2.86 Å. Fe3+ is bonded to four equivalent C2- atoms to form distorted FeC4 trigonal pyramids that share corners with four equivalent CYb5C octahedra and edges with two equivalent FeC4 trigonal pyramids. The corner-sharing octahedral tilt angles are 41°. All Fe–C bond lengths are 1.95 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded to five equivalent Yb+2.50+ and one C2- atom to form distorted CYb5C octahedra that share corners with six equivalent CYb5C octahedra, corners with two equivalent FeC4 trigonal pyramids, and edges with seven equivalent CYb5C octahedra. The corner-sharing octahedra tilt angles range from 8–58°. The C–C bond length is 1.31 Å. In the second C2- site, C2- is bonded in a 7-coordinate geometry to four equivalent Yb+2.50+, two equivalent Fe3+, and one C2- atom.},
doi = {10.17188/1743998},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}