Materials Data on PrIn2Pd by Materials Project

doi:10.17188/1279699

Title: Materials Data on PrIn2Pd by Materials Project

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Abstract

PrPdIn2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are four inequivalent Pr sites. In the first Pr site, Pr is bonded in a 4-coordinate geometry to four equivalent Pd and eight In atoms. All Pr–Pd bond lengths are 3.15 Å. There are four shorter (3.47 Å) and four longer (3.56 Å) Pr–In bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to three Pd and nine In atoms. There are two shorter (3.21 Å) and one longer (3.55 Å) Pr–Pd bond lengths. There are a spread of Pr–In bond distances ranging from 3.28–3.58 Å. In the third Pr site, Pr is bonded in a 12-coordinate geometry to four Pd and eight In atoms. There are a spread of Pr–Pd bond distances ranging from 3.18–3.35 Å. There are a spread of Pr–In bond distances ranging from 3.32–3.64 Å. In the fourth Pr site, Pr is bonded in a 12-coordinate geometry to four equivalent Pd and eight In atoms. All Pr–Pd bond lengths are 3.33 Å. There are four shorter (3.43 Å) and four longer (3.58 Å) Pr–In bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pdmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-637427

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; PrIn2Pd; In-Pd-Pr

OSTI Identifier:: 1279699

DOI:: https://doi.org/10.17188/1279699

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                    The Materials Project. Materials Data on PrIn2Pd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279699.

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                    The Materials Project. Materials Data on PrIn2Pd by Materials Project.  United States.  doi:https://doi.org/10.17188/1279699

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                    The Materials Project. 2020.  
"Materials Data on PrIn2Pd by Materials Project".  United States.  doi:https://doi.org/10.17188/1279699.  https://www.osti.gov/servlets/purl/1279699. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1279699,

  title        = {Materials Data on PrIn2Pd by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrPdIn2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are four inequivalent Pr sites. In the first Pr site, Pr is bonded in a 4-coordinate geometry to four equivalent Pd and eight In atoms. All Pr–Pd bond lengths are 3.15 Å. There are four shorter (3.47 Å) and four longer (3.56 Å) Pr–In bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to three Pd and nine In atoms. There are two shorter (3.21 Å) and one longer (3.55 Å) Pr–Pd bond lengths. There are a spread of Pr–In bond distances ranging from 3.28–3.58 Å. In the third Pr site, Pr is bonded in a 12-coordinate geometry to four Pd and eight In atoms. There are a spread of Pr–Pd bond distances ranging from 3.18–3.35 Å. There are a spread of Pr–In bond distances ranging from 3.32–3.64 Å. In the fourth Pr site, Pr is bonded in a 12-coordinate geometry to four equivalent Pd and eight In atoms. All Pr–Pd bond lengths are 3.33 Å. There are four shorter (3.43 Å) and four longer (3.58 Å) Pr–In bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to five Pr and five In atoms. There are a spread of Pd–In bond distances ranging from 2.89–3.09 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to four Pr and six In atoms. There are a spread of Pd–In bond distances ranging from 2.84–3.05 Å. In the third Pd site, Pd is bonded in a 8-coordinate geometry to eight In atoms. There are a spread of Pd–In bond distances ranging from 2.90–2.94 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to four Pr, three Pd, and one In atom. The In–In bond length is 3.29 Å. In the second In site, In is bonded in a 3-coordinate geometry to five Pr and three Pd atoms. In the third In site, In is bonded in a 11-coordinate geometry to six Pr, three Pd, and two equivalent In atoms. In the fourth In site, In is bonded in a 3-coordinate geometry to two equivalent Pr and three Pd atoms.},

  doi          = {10.17188/1279699},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279699

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