Materials Data on Pr4MgRu by Materials Project

doi:10.17188/1277486

Title: Materials Data on Pr4MgRu by Materials Project

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Abstract

MgPr4Ru crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Pr atoms to form a mixture of corner and face-sharing MgPr9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.17 Å. There are three shorter (3.47 Å) and six longer (3.68 Å) Mg–Pr bond lengths. There are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg and two equivalent Ru atoms. Both Pr–Ru bond lengths are 3.63 Å. In the second Pr site, Pr is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Ru atoms. Both Pr–Ru bond lengths are 2.88 Å. In the third Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Ru atoms. All Pr–Ru bond lengths are 2.97 Å. Ru is bonded in a 6-coordinate geometry to nine Pr atoms.

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-605873

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; Pr4MgRu; Mg-Pr-Ru

OSTI Identifier:: 1277486

DOI:: https://doi.org/10.17188/1277486

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                    The Materials Project. Materials Data on Pr4MgRu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277486.

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                    The Materials Project. Materials Data on Pr4MgRu by Materials Project.  United States.  doi:https://doi.org/10.17188/1277486

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                    The Materials Project. 2020.  
"Materials Data on Pr4MgRu by Materials Project".  United States.  doi:https://doi.org/10.17188/1277486.  https://www.osti.gov/servlets/purl/1277486. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1277486,

  title        = {Materials Data on Pr4MgRu by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgPr4Ru crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Pr atoms to form a mixture of corner and face-sharing MgPr9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.17 Å. There are three shorter (3.47 Å) and six longer (3.68 Å) Mg–Pr bond lengths. There are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg and two equivalent Ru atoms. Both Pr–Ru bond lengths are 3.63 Å. In the second Pr site, Pr is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Ru atoms. Both Pr–Ru bond lengths are 2.88 Å. In the third Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Ru atoms. All Pr–Ru bond lengths are 2.97 Å. Ru is bonded in a 6-coordinate geometry to nine Pr atoms.},

  doi          = {10.17188/1277486},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277486

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