Materials Data on Ho(CrFe5)2 by Materials Project

doi:10.17188/1715420

Title: Materials Data on Ho(CrFe5)2 by Materials Project

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Abstract

Ho(CrFe5)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to two equivalent Cr and eighteen Fe atoms. Both Ho–Cr bond lengths are 3.10 Å. There are a spread of Ho–Fe bond distances ranging from 3.00–3.19 Å. Cr is bonded in a 9-coordinate geometry to one Ho, one Cr, and twelve Fe atoms. The Cr–Cr bond length is 2.23 Å. There are a spread of Cr–Fe bond distances ranging from 2.56–2.85 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Ho, two equivalent Cr, and eight Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeHo2Cr2Fe8 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.42–2.69 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Ho, two equivalent Cr, and eight Fe atoms. There are four shorter (2.40 Å) and two longer (2.58 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to two equivalent Ho, two equivalent Cr, and eight Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeHo2Cr2Fe8 cuboctahedra. There aremore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1224089

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; Ho(CrFe5)2; Cr-Fe-Ho

OSTI Identifier:: 1715420

DOI:: https://doi.org/10.17188/1715420

Citation Formats


                    The Materials Project. Materials Data on Ho(CrFe5)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1715420.

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                    The Materials Project. Materials Data on Ho(CrFe5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1715420

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                    The Materials Project. 2019.  
"Materials Data on Ho(CrFe5)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1715420.  https://www.osti.gov/servlets/purl/1715420. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1715420,

  title        = {Materials Data on Ho(CrFe5)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho(CrFe5)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to two equivalent Cr and eighteen Fe atoms. Both Ho–Cr bond lengths are 3.10 Å. There are a spread of Ho–Fe bond distances ranging from 3.00–3.19 Å. Cr is bonded in a 9-coordinate geometry to one Ho, one Cr, and twelve Fe atoms. The Cr–Cr bond length is 2.23 Å. There are a spread of Cr–Fe bond distances ranging from 2.56–2.85 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Ho, two equivalent Cr, and eight Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeHo2Cr2Fe8 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.42–2.69 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Ho, two equivalent Cr, and eight Fe atoms. There are four shorter (2.40 Å) and two longer (2.58 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to two equivalent Ho, two equivalent Cr, and eight Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeHo2Cr2Fe8 cuboctahedra. There are two shorter (2.34 Å) and two longer (2.58 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Ho, four equivalent Cr, and nine Fe atoms. The Fe–Fe bond length is 2.36 Å.},

  doi          = {10.17188/1715420},

  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/10.17188/1715420

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