Materials Data on Er3Ir by Materials Project

doi:10.17188/1732701

Title: Materials Data on Er3Ir by Materials Project

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Abstract

Er3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 2-coordinate geometry to three equivalent Ir atoms. There are a spread of Er–Ir bond distances ranging from 2.84–3.21 Å. In the second Er site, Er is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.75 Å) and one longer (2.84 Å) Er–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to eight Er atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1189478

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; Er3Ir; Er-Ir

OSTI Identifier:: 1732701

DOI:: https://doi.org/10.17188/1732701

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                    The Materials Project. Materials Data on Er3Ir by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732701.

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                    The Materials Project. Materials Data on Er3Ir by Materials Project.  United States.  doi:https://doi.org/10.17188/1732701

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                    The Materials Project. 2020.  
"Materials Data on Er3Ir by Materials Project".  United States.  doi:https://doi.org/10.17188/1732701.  https://www.osti.gov/servlets/purl/1732701. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1732701,

  title        = {Materials Data on Er3Ir by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 2-coordinate geometry to three equivalent Ir atoms. There are a spread of Er–Ir bond distances ranging from 2.84–3.21 Å. In the second Er site, Er is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.75 Å) and one longer (2.84 Å) Er–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to eight Er atoms.},

  doi          = {10.17188/1732701},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1732701

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