Materials Data on Pr2In3Cu by Materials Project

doi:10.17188/1674659

Title: Materials Data on Pr2In3Cu by Materials Project

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Abstract

Pr2CuIn3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to two equivalent Cu and ten In atoms to form a mixture of distorted edge and face-sharing PrIn10Cu2 cuboctahedra. Both Pr–Cu bond lengths are 3.34 Å. There are a spread of Pr–In bond distances ranging from 3.41–3.58 Å. In the second Pr site, Pr is bonded to four equivalent Cu and eight In atoms to form a mixture of edge and face-sharing PrIn8Cu4 cuboctahedra. All Pr–Cu bond lengths are 3.39 Å. There are a spread of Pr–In bond distances ranging from 3.27–3.46 Å. Cu is bonded in a 9-coordinate geometry to six Pr and three In atoms. There are one shorter (2.68 Å) and two longer (2.72 Å) Cu–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to six Pr and three In atoms. There are two shorter (2.90 Å) and one longer (2.91 Å) In–In bond lengths. In the second In site, In is bonded in a 9-coordinate geometry to six Pr, two equivalent Cu, and one In atom. In themore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1219909

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; Pr2In3Cu; Cu-In-Pr

OSTI Identifier:: 1674659

DOI:: https://doi.org/10.17188/1674659

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                    The Materials Project. Materials Data on Pr2In3Cu by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1674659.

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                    The Materials Project. Materials Data on Pr2In3Cu by Materials Project.  United States.  doi:https://doi.org/10.17188/1674659

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                    The Materials Project. 2019.  
"Materials Data on Pr2In3Cu by Materials Project".  United States.  doi:https://doi.org/10.17188/1674659.  https://www.osti.gov/servlets/purl/1674659. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1674659,

  title        = {Materials Data on Pr2In3Cu by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr2CuIn3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to two equivalent Cu and ten In atoms to form a mixture of distorted edge and face-sharing PrIn10Cu2 cuboctahedra. Both Pr–Cu bond lengths are 3.34 Å. There are a spread of Pr–In bond distances ranging from 3.41–3.58 Å. In the second Pr site, Pr is bonded to four equivalent Cu and eight In atoms to form a mixture of edge and face-sharing PrIn8Cu4 cuboctahedra. All Pr–Cu bond lengths are 3.39 Å. There are a spread of Pr–In bond distances ranging from 3.27–3.46 Å. Cu is bonded in a 9-coordinate geometry to six Pr and three In atoms. There are one shorter (2.68 Å) and two longer (2.72 Å) Cu–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to six Pr and three In atoms. There are two shorter (2.90 Å) and one longer (2.91 Å) In–In bond lengths. In the second In site, In is bonded in a 9-coordinate geometry to six Pr, two equivalent Cu, and one In atom. In the third In site, In is bonded in a 1-coordinate geometry to six Pr, one Cu, and two equivalent In atoms.},

  doi          = {10.17188/1674659},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1674659

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