Materials Data on Nd3Sn13Ir4 by Materials Project

doi:10.17188/1749324

Title: Materials Data on Nd3Sn13Ir4 by Materials Project

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Abstract

Nd3Ir4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Ir and twelve equivalent Sn atoms. All Nd–Ir bond lengths are 3.47 Å. There are eight shorter (3.45 Å) and four longer (3.46 Å) Nd–Sn bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Nd and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Nd, two equivalent Ir, and one Sn atom. The Sn–Sn bond length is 3.36 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1197860

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; Nd3Sn13Ir4; Ir-Nd-Sn

OSTI Identifier:: 1749324

DOI:: https://doi.org/10.17188/1749324

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                    The Materials Project. Materials Data on Nd3Sn13Ir4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749324.

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                    The Materials Project. Materials Data on Nd3Sn13Ir4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749324

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                    The Materials Project. 2020.  
"Materials Data on Nd3Sn13Ir4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749324.  https://www.osti.gov/servlets/purl/1749324. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1749324,

  title        = {Materials Data on Nd3Sn13Ir4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd3Ir4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Ir and twelve equivalent Sn atoms. All Nd–Ir bond lengths are 3.47 Å. There are eight shorter (3.45 Å) and four longer (3.46 Å) Nd–Sn bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Nd and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Nd, two equivalent Ir, and one Sn atom. The Sn–Sn bond length is 3.36 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.},

  doi          = {10.17188/1749324},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1749324

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