Materials Data on Er4CdNi by Materials Project

doi:10.17188/1677348

Title: Materials Data on Er4CdNi by Materials Project

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Abstract

Er4NiCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All Er–Ni bond lengths are 2.78 Å. All Er–Cd bond lengths are 3.38 Å. In the second Er site, Er is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Er–Ni bond lengths are 2.78 Å. Both Er–Cd bond lengths are 3.44 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Er–Ni bond lengths are 3.43 Å. Both Er–Cd bond lengths are 3.20 Å. Ni is bonded in a 6-coordinate geometry to nine Er atoms. Cd is bonded to nine Er and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdEr9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.10 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1212924

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; Er4CdNi; Cd-Er-Ni

OSTI Identifier:: 1677348

DOI:: https://doi.org/10.17188/1677348

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                    The Materials Project. Materials Data on Er4CdNi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677348.

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                    The Materials Project. Materials Data on Er4CdNi by Materials Project.  United States.  doi:https://doi.org/10.17188/1677348

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                    The Materials Project. 2020.  
"Materials Data on Er4CdNi by Materials Project".  United States.  doi:https://doi.org/10.17188/1677348.  https://www.osti.gov/servlets/purl/1677348. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1677348,

  title        = {Materials Data on Er4CdNi by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er4NiCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All Er–Ni bond lengths are 2.78 Å. All Er–Cd bond lengths are 3.38 Å. In the second Er site, Er is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Er–Ni bond lengths are 2.78 Å. Both Er–Cd bond lengths are 3.44 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Er–Ni bond lengths are 3.43 Å. Both Er–Cd bond lengths are 3.20 Å. Ni is bonded in a 6-coordinate geometry to nine Er atoms. Cd is bonded to nine Er and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdEr9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.10 Å.},

  doi          = {10.17188/1677348},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1677348

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