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Title: Materials Data on Mn4FeC2 by Materials Project

Abstract

Mn4FeC2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a 2-coordinate geometry to three C atoms. There are a spread of Mn–C bond distances ranging from 1.97–2.20 Å. In the second Mn site, Mn is bonded to four C atoms to form distorted edge-sharing MnC4 tetrahedra. There are two shorter (2.02 Å) and two longer (2.04 Å) Mn–C bond lengths. In the third Mn site, Mn is bonded to four C atoms to form distorted edge-sharing MnC4 tetrahedra. There are two shorter (2.03 Å) and two longer (2.04 Å) Mn–C bond lengths. In the fourth Mn site, Mn is bonded in a distorted bent 150 degrees geometry to two C atoms. There is one shorter (1.99 Å) and one longer (2.00 Å) Mn–C bond length. In the fifth Mn site, Mn is bonded in a distorted bent 150 degrees geometry to two C atoms. There is one shorter (1.98 Å) and one longer (2.01 Å) Mn–C bond length. Fe is bonded in a 2-coordinate geometry to three C atoms. There are two shorter (1.95 Å) and one longer (2.24 Å) Fe–C bondmore » lengths. There are two inequivalent C sites. In the first C site, C is bonded in a 7-coordinate geometry to five Mn and two equivalent Fe atoms. In the second C site, C is bonded in a 7-coordinate geometry to six Mn and one Fe atom.« less

Publication Date:
Other Number(s):
mp-1221861
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; Mn4FeC2; C-Fe-Mn
OSTI Identifier:
1744808
DOI:
https://doi.org/10.17188/1744808

Citation Formats

The Materials Project. Materials Data on Mn4FeC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744808.
The Materials Project. Materials Data on Mn4FeC2 by Materials Project. United States. doi:https://doi.org/10.17188/1744808
The Materials Project. 2020. "Materials Data on Mn4FeC2 by Materials Project". United States. doi:https://doi.org/10.17188/1744808. https://www.osti.gov/servlets/purl/1744808. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1744808,
title = {Materials Data on Mn4FeC2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn4FeC2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a 2-coordinate geometry to three C atoms. There are a spread of Mn–C bond distances ranging from 1.97–2.20 Å. In the second Mn site, Mn is bonded to four C atoms to form distorted edge-sharing MnC4 tetrahedra. There are two shorter (2.02 Å) and two longer (2.04 Å) Mn–C bond lengths. In the third Mn site, Mn is bonded to four C atoms to form distorted edge-sharing MnC4 tetrahedra. There are two shorter (2.03 Å) and two longer (2.04 Å) Mn–C bond lengths. In the fourth Mn site, Mn is bonded in a distorted bent 150 degrees geometry to two C atoms. There is one shorter (1.99 Å) and one longer (2.00 Å) Mn–C bond length. In the fifth Mn site, Mn is bonded in a distorted bent 150 degrees geometry to two C atoms. There is one shorter (1.98 Å) and one longer (2.01 Å) Mn–C bond length. Fe is bonded in a 2-coordinate geometry to three C atoms. There are two shorter (1.95 Å) and one longer (2.24 Å) Fe–C bond lengths. There are two inequivalent C sites. In the first C site, C is bonded in a 7-coordinate geometry to five Mn and two equivalent Fe atoms. In the second C site, C is bonded in a 7-coordinate geometry to six Mn and one Fe atom.},
doi = {10.17188/1744808},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}