Materials Data on Pr2In by Materials Project

doi:10.17188/1195046

Title: Materials Data on Pr2In by Materials Project

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Abstract

Pr2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to eight Pr and six equivalent In atoms. There are two shorter (3.51 Å) and six longer (3.69 Å) Pr–Pr bond lengths. All Pr–In bond lengths are 3.69 Å. In the second Pr site, Pr is bonded to six equivalent Pr and five equivalent In atoms to form a mixture of distorted face and corner-sharing PrPr6In5 trigonal bipyramids. There are three shorter (3.24 Å) and two longer (3.51 Å) Pr–In bond lengths. In is bonded in a 11-coordinate geometry to eleven Pr atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-19854

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; Pr2In; In-Pr

OSTI Identifier:: 1195046

DOI:: https://doi.org/10.17188/1195046

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                    The Materials Project. Materials Data on Pr2In by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195046.

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                    The Materials Project. Materials Data on Pr2In by Materials Project.  United States.  doi:https://doi.org/10.17188/1195046

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                    The Materials Project. 2020.  
"Materials Data on Pr2In by Materials Project".  United States.  doi:https://doi.org/10.17188/1195046.  https://www.osti.gov/servlets/purl/1195046. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1195046,

  title        = {Materials Data on Pr2In by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to eight Pr and six equivalent In atoms. There are two shorter (3.51 Å) and six longer (3.69 Å) Pr–Pr bond lengths. All Pr–In bond lengths are 3.69 Å. In the second Pr site, Pr is bonded to six equivalent Pr and five equivalent In atoms to form a mixture of distorted face and corner-sharing PrPr6In5 trigonal bipyramids. There are three shorter (3.24 Å) and two longer (3.51 Å) Pr–In bond lengths. In is bonded in a 11-coordinate geometry to eleven Pr atoms.},

  doi          = {10.17188/1195046},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1195046

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