Materials Data on PrGa6 by Materials Project

doi:10.17188/1746385

Title: Materials Data on PrGa6 by Materials Project

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Abstract

PrGa6 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Pr is bonded to twelve Ga atoms to form a mixture of distorted edge and face-sharing PrGa12 cuboctahedra. There are four shorter (3.18 Å) and eight longer (3.30 Å) Pr–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Pr and five Ga atoms. There are one shorter (2.50 Å) and four longer (2.63 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 4-coordinate geometry to one Pr and three Ga atoms. The Ga–Ga bond length is 2.50 Å.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1104070

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; PrGa6; Ga-Pr

OSTI Identifier:: 1746385

DOI:: https://doi.org/10.17188/1746385

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                    The Materials Project. Materials Data on PrGa6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746385.

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                    The Materials Project. Materials Data on PrGa6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746385

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                    The Materials Project. 2020.  
"Materials Data on PrGa6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746385.  https://www.osti.gov/servlets/purl/1746385. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1746385,

  title        = {Materials Data on PrGa6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrGa6 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Pr is bonded to twelve Ga atoms to form a mixture of distorted edge and face-sharing PrGa12 cuboctahedra. There are four shorter (3.18 Å) and eight longer (3.30 Å) Pr–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Pr and five Ga atoms. There are one shorter (2.50 Å) and four longer (2.63 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 4-coordinate geometry to one Pr and three Ga atoms. The Ga–Ga bond length is 2.50 Å.},

  doi          = {10.17188/1746385},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1746385

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