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Title: Materials Data on Tb2FeC4 by Materials Project

Abstract

Tb2FeC4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Tb3+ is bonded in a 7-coordinate geometry to seven C2- atoms. There are a spread of Tb–C bond distances ranging from 2.42–2.70 Å. Fe2+ is bonded to four equivalent C2- atoms to form distorted FeC4 trigonal pyramids that share corners with four equivalent CTb5C octahedra and edges with two equivalent FeC4 trigonal pyramids. The corner-sharing octahedral tilt angles are 42°. All Fe–C bond lengths are 1.92 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded to five equivalent Tb3+ and one C2- atom to form distorted CTb5C octahedra that share corners with six equivalent CTb5C octahedra, corners with two equivalent FeC4 trigonal pyramids, and edges with seven equivalent CTb5C octahedra. The corner-sharing octahedra tilt angles range from 8–55°. The C–C bond length is 1.38 Å. In the second C2- site, C2- is bonded in a 5-coordinate geometry to two equivalent Tb3+, two equivalent Fe2+, and one C2- atom.

Publication Date:
Other Number(s):
mp-1104152
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; Tb2FeC4; C-Fe-Tb
OSTI Identifier:
1684592
DOI:
https://doi.org/10.17188/1684592

Citation Formats

The Materials Project. Materials Data on Tb2FeC4 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1684592.
The Materials Project. Materials Data on Tb2FeC4 by Materials Project. United States. doi:https://doi.org/10.17188/1684592
The Materials Project. 2018. "Materials Data on Tb2FeC4 by Materials Project". United States. doi:https://doi.org/10.17188/1684592. https://www.osti.gov/servlets/purl/1684592. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1684592,
title = {Materials Data on Tb2FeC4 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb2FeC4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Tb3+ is bonded in a 7-coordinate geometry to seven C2- atoms. There are a spread of Tb–C bond distances ranging from 2.42–2.70 Å. Fe2+ is bonded to four equivalent C2- atoms to form distorted FeC4 trigonal pyramids that share corners with four equivalent CTb5C octahedra and edges with two equivalent FeC4 trigonal pyramids. The corner-sharing octahedral tilt angles are 42°. All Fe–C bond lengths are 1.92 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded to five equivalent Tb3+ and one C2- atom to form distorted CTb5C octahedra that share corners with six equivalent CTb5C octahedra, corners with two equivalent FeC4 trigonal pyramids, and edges with seven equivalent CTb5C octahedra. The corner-sharing octahedra tilt angles range from 8–55°. The C–C bond length is 1.38 Å. In the second C2- site, C2- is bonded in a 5-coordinate geometry to two equivalent Tb3+, two equivalent Fe2+, and one C2- atom.},
doi = {10.17188/1684592},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}