Materials Data on Pr(InPt)2 by Materials Project

doi:10.17188/1728803

Title: Materials Data on Pr(InPt)2 by Materials Project

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Abstract

PrPt2In2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of Pr–Pt bond distances ranging from 3.04–3.24 Å. In the second Pr site, Pr is bonded in a 1-coordinate geometry to five Pt and nine In atoms. There are a spread of Pr–Pt bond distances ranging from 2.94–3.28 Å. There are a spread of Pr–In bond distances ranging from 3.34–3.58 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to two equivalent Pr, two Pt, and six In atoms. There are one shorter (2.88 Å) and one longer (3.04 Å) Pt–Pt bond lengths. There are a spread of Pt–In bond distances ranging from 2.81–2.96 Å. In the second Pt site, Pt is bonded in a 10-coordinate geometry to three Pr, one Pt, and five In atoms. There are a spread of Pt–In bond distances ranging from 2.89–2.98 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to four Pr and five In atoms. There are a spread ofmore »« less

Publication Date:: 2020-05-02

Other Number(s):: mp-1210096

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; In-Pr-Pt; Pr(InPt)2; crystal structure

OSTI Identifier:: 1728803

DOI:: https://doi.org/10.17188/1728803

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                    Materials Data on Pr(InPt)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1728803.

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                    Materials Data on Pr(InPt)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1728803

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                    2020.  
"Materials Data on Pr(InPt)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1728803.  https://www.osti.gov/servlets/purl/1728803. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1728803,

  title        = {Materials Data on Pr(InPt)2 by Materials Project},

  
  abstractNote = {PrPt2In2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of Pr–Pt bond distances ranging from 3.04–3.24 Å. In the second Pr site, Pr is bonded in a 1-coordinate geometry to five Pt and nine In atoms. There are a spread of Pr–Pt bond distances ranging from 2.94–3.28 Å. There are a spread of Pr–In bond distances ranging from 3.34–3.58 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to two equivalent Pr, two Pt, and six In atoms. There are one shorter (2.88 Å) and one longer (3.04 Å) Pt–Pt bond lengths. There are a spread of Pt–In bond distances ranging from 2.81–2.96 Å. In the second Pt site, Pt is bonded in a 10-coordinate geometry to three Pr, one Pt, and five In atoms. There are a spread of Pt–In bond distances ranging from 2.89–2.98 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to four Pr and five In atoms. There are a spread of Pt–In bond distances ranging from 2.76–2.84 Å. In the fourth Pt site, Pt is bonded in a 10-coordinate geometry to three equivalent Pr, one Pt, and three equivalent In atoms. There are two shorter (2.78 Å) and one longer (2.84 Å) Pt–In bond lengths. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Pr and five Pt atoms. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Pr and four Pt atoms. In the third In site, In is bonded in a 6-coordinate geometry to one Pr and six Pt atoms. In the fourth In site, In is bonded in a 4-coordinate geometry to three equivalent Pr and four Pt atoms.},

  doi          = {10.17188/1728803},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1728803

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