Materials Data on PrSnIr by Materials Project

doi:10.17188/1652803

Title: Materials Data on PrSnIr by Materials Project

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Abstract

PrIrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are one shorter (3.08 Å) and four longer (3.10 Å) Pr–Ir bond lengths. There are two shorter (3.31 Å) and four longer (3.42 Å) Pr–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.83 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.87 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Pr and four Ir atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-1205817

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; PrSnIr; Ir-Pr-Sn

OSTI Identifier:: 1652803

DOI:: https://doi.org/10.17188/1652803

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                    The Materials Project. Materials Data on PrSnIr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652803.

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                    The Materials Project. Materials Data on PrSnIr by Materials Project.  United States.  doi:https://doi.org/10.17188/1652803

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                    The Materials Project. 2020.  
"Materials Data on PrSnIr by Materials Project".  United States.  doi:https://doi.org/10.17188/1652803.  https://www.osti.gov/servlets/purl/1652803. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1652803,

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

  author       = {The Materials Project},

  abstractNote = {PrIrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are one shorter (3.08 Å) and four longer (3.10 Å) Pr–Ir bond lengths. There are two shorter (3.31 Å) and four longer (3.42 Å) Pr–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.83 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.87 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Pr and four Ir atoms.},

  doi          = {10.17188/1652803},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1652803

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