Materials Data on Pr(Re2Si)2 by Materials Project

doi:10.17188/1355386

Title: Materials Data on Pr(Re2Si)2 by Materials Project

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Abstract

Pr(Re2Si)2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight Re and eight equivalent Si atoms. There are four shorter (3.37 Å) and four longer (3.47 Å) Pr–Re bond lengths. All Pr–Si bond lengths are 3.20 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 12-coordinate geometry to two equivalent Pr, eight Re, and two equivalent Si atoms. There are a spread of Re–Re bond distances ranging from 2.62–2.94 Å. Both Re–Si bond lengths are 2.52 Å. In the second Re site, Re is bonded to two equivalent Pr, eight Re, and two equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing RePr2Re8Si2 cuboctahedra. Both Re–Re bond lengths are 2.58 Å. Both Re–Si bond lengths are 2.56 Å. Si is bonded in a 9-coordinate geometry to four equivalent Pr, four Re, and one Si atom. The Si–Si bond length is 2.52 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1025309

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; Pr(Re2Si)2; Pr-Re-Si

OSTI Identifier:: 1355386

DOI:: https://doi.org/10.17188/1355386

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                    The Materials Project. Materials Data on Pr(Re2Si)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355386.

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                    The Materials Project. Materials Data on Pr(Re2Si)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355386

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                    The Materials Project. 2020.  
"Materials Data on Pr(Re2Si)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1355386.  https://www.osti.gov/servlets/purl/1355386. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1355386,

  title        = {Materials Data on Pr(Re2Si)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr(Re2Si)2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight Re and eight equivalent Si atoms. There are four shorter (3.37 Å) and four longer (3.47 Å) Pr–Re bond lengths. All Pr–Si bond lengths are 3.20 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 12-coordinate geometry to two equivalent Pr, eight Re, and two equivalent Si atoms. There are a spread of Re–Re bond distances ranging from 2.62–2.94 Å. Both Re–Si bond lengths are 2.52 Å. In the second Re site, Re is bonded to two equivalent Pr, eight Re, and two equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing RePr2Re8Si2 cuboctahedra. Both Re–Re bond lengths are 2.58 Å. Both Re–Si bond lengths are 2.56 Å. Si is bonded in a 9-coordinate geometry to four equivalent Pr, four Re, and one Si atom. The Si–Si bond length is 2.52 Å.},

  doi          = {10.17188/1355386},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1355386

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