Materials Data on Ce(Mn2Fe)4 by Materials Project

doi:10.17188/1730454

Title: Materials Data on Ce(Mn2Fe)4 by Materials Project

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Abstract

Ce(Mn2Fe)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to sixteen Mn and four equivalent Fe atoms. There are eight shorter (3.08 Å) and eight longer (3.18 Å) Ce–Mn bond lengths. All Ce–Fe bond lengths are 3.02 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Ce, six Mn, and four equivalent Fe atoms to form a mixture of distorted face, edge, and corner-sharing MnCe2Mn6Fe4 cuboctahedra. There are two shorter (2.39 Å) and four longer (2.41 Å) Mn–Mn bond lengths. All Mn–Fe bond lengths are 2.58 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Ce, six Mn, and four equivalent Fe atoms. Both Mn–Mn bond lengths are 2.75 Å. There are two shorter (2.51 Å) and two longer (2.62 Å) Mn–Fe bond lengths. Fe is bonded in a 10-coordinate geometry to one Ce, eight Mn, and one Fe atom. The Fe–Fe bond length is 2.30 Å.

Authors:: The Materials Project

Publication Date:: Sun Jan 13 00:00:00 EST 2019

Other Number(s):: mp-1226942

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; Ce(Mn2Fe)4; Ce-Fe-Mn

OSTI Identifier:: 1730454

DOI:: https://doi.org/10.17188/1730454

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                    The Materials Project. Materials Data on Ce(Mn2Fe)4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1730454.

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                    The Materials Project. Materials Data on Ce(Mn2Fe)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1730454

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                    The Materials Project. 2019.  
"Materials Data on Ce(Mn2Fe)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1730454.  https://www.osti.gov/servlets/purl/1730454. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1730454,

  title        = {Materials Data on Ce(Mn2Fe)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce(Mn2Fe)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to sixteen Mn and four equivalent Fe atoms. There are eight shorter (3.08 Å) and eight longer (3.18 Å) Ce–Mn bond lengths. All Ce–Fe bond lengths are 3.02 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Ce, six Mn, and four equivalent Fe atoms to form a mixture of distorted face, edge, and corner-sharing MnCe2Mn6Fe4 cuboctahedra. There are two shorter (2.39 Å) and four longer (2.41 Å) Mn–Mn bond lengths. All Mn–Fe bond lengths are 2.58 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Ce, six Mn, and four equivalent Fe atoms. Both Mn–Mn bond lengths are 2.75 Å. There are two shorter (2.51 Å) and two longer (2.62 Å) Mn–Fe bond lengths. Fe is bonded in a 10-coordinate geometry to one Ce, eight Mn, and one Fe atom. The Fe–Fe bond length is 2.30 Å.},

  doi          = {10.17188/1730454},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun Jan 13 00:00:00 EST 2019},

  month        = {Sun Jan 13 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1730454

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