Materials Data on CeFe5 by Materials Project

doi:10.17188/1187734

Title: Materials Data on CeFe5 by Materials Project

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Abstract

CeFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.89 Å) and twelve longer (3.22 Å) Ce–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent Ce and eight Fe atoms to form a mixture of face, edge, and corner-sharing FeCe4Fe8 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.50 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Ce and six equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-11317

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; CeFe5; Ce-Fe

OSTI Identifier:: 1187734

DOI:: https://doi.org/10.17188/1187734

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                    The Materials Project. Materials Data on CeFe5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187734.

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                    The Materials Project. Materials Data on CeFe5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187734

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                    The Materials Project. 2020.  
"Materials Data on CeFe5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187734.  https://www.osti.gov/servlets/purl/1187734. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187734,

  title        = {Materials Data on CeFe5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CeFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.89 Å) and twelve longer (3.22 Å) Ce–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent Ce and eight Fe atoms to form a mixture of face, edge, and corner-sharing FeCe4Fe8 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.50 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Ce and six equivalent Fe atoms.},

  doi          = {10.17188/1187734},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187734

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