Materials Data on PrInCu by Materials Project

doi:10.17188/1681650

Title: Materials Data on PrInCu by Materials Project

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Abstract

PrInCu crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Cu and six equivalent In atoms. There are four shorter (3.10 Å) and one longer (3.13 Å) Pr–Cu bond lengths. There are two shorter (3.32 Å) and four longer (3.45 Å) Pr–In bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent In atoms. All Cu–In bond lengths are 2.81 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent In atoms. All Cu–In bond lengths are 2.90 Å. In is bonded in a 12-coordinate geometry to six equivalent Pr, four Cu, and two equivalent In atoms. Both In–In bond lengths are 3.21 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1080085

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; PrInCu; Cu-In-Pr

OSTI Identifier:: 1681650

DOI:: https://doi.org/10.17188/1681650

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                    The Materials Project. Materials Data on PrInCu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681650.

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                    The Materials Project. Materials Data on PrInCu by Materials Project.  United States.  doi:https://doi.org/10.17188/1681650

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                    The Materials Project. 2020.  
"Materials Data on PrInCu by Materials Project".  United States.  doi:https://doi.org/10.17188/1681650.  https://www.osti.gov/servlets/purl/1681650. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1681650,

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

  author       = {The Materials Project},

  abstractNote = {PrInCu crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Cu and six equivalent In atoms. There are four shorter (3.10 Å) and one longer (3.13 Å) Pr–Cu bond lengths. There are two shorter (3.32 Å) and four longer (3.45 Å) Pr–In bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent In atoms. All Cu–In bond lengths are 2.81 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent In atoms. All Cu–In bond lengths are 2.90 Å. In is bonded in a 12-coordinate geometry to six equivalent Pr, four Cu, and two equivalent In atoms. Both In–In bond lengths are 3.21 Å.},

  doi          = {10.17188/1681650},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1681650

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