Materials Data on Er5CoSb2 by Materials Project

doi:10.17188/1263023

Title: Materials Data on Er5CoSb2 by Materials Project

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Abstract

Er5CoSb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded to one Co and four equivalent Sb atoms to form a mixture of distorted corner, edge, and face-sharing ErCoSb4 trigonal bipyramids. The Er–Co bond length is 2.69 Å. All Er–Sb bond lengths are 3.13 Å. In the second Er site, Er is bonded to one Co and four equivalent Sb atoms to form a mixture of distorted corner, edge, and face-sharing ErCoSb4 trigonal bipyramids. The Er–Co bond length is 2.96 Å. All Er–Sb bond lengths are 3.09 Å. In the third Er site, Er is bonded in a 5-coordinate geometry to one Co and four equivalent Sb atoms. The Er–Co bond length is 2.68 Å. There are two shorter (3.16 Å) and two longer (3.21 Å) Er–Sb bond lengths. In the fourth Er site, Er is bonded in a 2-coordinate geometry to two equivalent Co and three equivalent Sb atoms. There are one shorter (2.73 Å) and one longer (2.82 Å) Er–Co bond lengths. There are a spread of Er–Sb bond distances ranging from 3.29–3.52 Å. Co is bonded to seven Er atoms tomore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-510595

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; Er5CoSb2; Co-Er-Sb

OSTI Identifier:: 1263023

DOI:: https://doi.org/10.17188/1263023

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                    The Materials Project. Materials Data on Er5CoSb2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263023.

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                    The Materials Project. Materials Data on Er5CoSb2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263023

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                    The Materials Project. 2020.  
"Materials Data on Er5CoSb2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263023.  https://www.osti.gov/servlets/purl/1263023. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1263023,

  title        = {Materials Data on Er5CoSb2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er5CoSb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded to one Co and four equivalent Sb atoms to form a mixture of distorted corner, edge, and face-sharing ErCoSb4 trigonal bipyramids. The Er–Co bond length is 2.69 Å. All Er–Sb bond lengths are 3.13 Å. In the second Er site, Er is bonded to one Co and four equivalent Sb atoms to form a mixture of distorted corner, edge, and face-sharing ErCoSb4 trigonal bipyramids. The Er–Co bond length is 2.96 Å. All Er–Sb bond lengths are 3.09 Å. In the third Er site, Er is bonded in a 5-coordinate geometry to one Co and four equivalent Sb atoms. The Er–Co bond length is 2.68 Å. There are two shorter (3.16 Å) and two longer (3.21 Å) Er–Sb bond lengths. In the fourth Er site, Er is bonded in a 2-coordinate geometry to two equivalent Co and three equivalent Sb atoms. There are one shorter (2.73 Å) and one longer (2.82 Å) Er–Co bond lengths. There are a spread of Er–Sb bond distances ranging from 3.29–3.52 Å. Co is bonded to seven Er atoms to form distorted edge-sharing CoEr7 pentagonal bipyramids. Sb is bonded in a 9-coordinate geometry to nine Er atoms.},

  doi          = {10.17188/1263023},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1263023

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