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Title: Materials Data on Er2MnC4 by Materials Project

Abstract

Er2MnC4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Er3+ is bonded in a 7-coordinate geometry to seven C2- atoms. There are a spread of Er–C bond distances ranging from 2.36–2.61 Å. Mn2+ is bonded to four equivalent C2- atoms to form distorted MnC4 trigonal pyramids that share corners with four equivalent CEr5C octahedra and edges with two equivalent MnC4 trigonal pyramids. The corner-sharing octahedral tilt angles are 41°. All Mn–C bond lengths are 1.95 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded in a 5-coordinate geometry to two equivalent Er3+, two equivalent Mn2+, and one C2- atom. The C–C bond length is 1.38 Å. In the second C2- site, C2- is bonded to five equivalent Er3+ and one C2- atom to form distorted CEr5C octahedra that share corners with six equivalent CEr5C octahedra, corners with two equivalent MnC4 trigonal pyramids, and edges with seven equivalent CEr5C octahedra. The corner-sharing octahedra tilt angles range from 7–53°.

Authors:
Publication Date:
Other Number(s):
mp-9267
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; Er2MnC4; C-Er-Mn
OSTI Identifier:
1313101
DOI:
https://doi.org/10.17188/1313101

Citation Formats

The Materials Project. Materials Data on Er2MnC4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313101.
The Materials Project. Materials Data on Er2MnC4 by Materials Project. United States. doi:https://doi.org/10.17188/1313101
The Materials Project. 2020. "Materials Data on Er2MnC4 by Materials Project". United States. doi:https://doi.org/10.17188/1313101. https://www.osti.gov/servlets/purl/1313101. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1313101,
title = {Materials Data on Er2MnC4 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2MnC4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Er3+ is bonded in a 7-coordinate geometry to seven C2- atoms. There are a spread of Er–C bond distances ranging from 2.36–2.61 Å. Mn2+ is bonded to four equivalent C2- atoms to form distorted MnC4 trigonal pyramids that share corners with four equivalent CEr5C octahedra and edges with two equivalent MnC4 trigonal pyramids. The corner-sharing octahedral tilt angles are 41°. All Mn–C bond lengths are 1.95 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded in a 5-coordinate geometry to two equivalent Er3+, two equivalent Mn2+, and one C2- atom. The C–C bond length is 1.38 Å. In the second C2- site, C2- is bonded to five equivalent Er3+ and one C2- atom to form distorted CEr5C octahedra that share corners with six equivalent CEr5C octahedra, corners with two equivalent MnC4 trigonal pyramids, and edges with seven equivalent CEr5C octahedra. The corner-sharing octahedra tilt angles range from 7–53°.},
doi = {10.17188/1313101},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}