Materials Data on Pr8Ga3Co by Materials Project

doi:10.17188/1262029

Title: Materials Data on Pr8Ga3Co by Materials Project

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Abstract

Pr8CoGa3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Pr sites. In the first Pr site, Pr is bonded in a 4-coordinate geometry to one Co and four equivalent Ga atoms. The Pr–Co bond length is 3.02 Å. There are a spread of Pr–Ga bond distances ranging from 3.08–3.80 Å. In the second Pr site, Pr is bonded in a distorted tetrahedral geometry to one Co and three equivalent Ga atoms. The Pr–Co bond length is 2.69 Å. All Pr–Ga bond lengths are 3.26 Å. In the third Pr site, Pr is bonded in a 3-coordinate geometry to one Co and four equivalent Ga atoms. The Pr–Co bond length is 2.87 Å. There are two shorter (3.28 Å) and two longer (3.91 Å) Pr–Ga bond lengths. In the fourth Pr site, Pr is bonded in a 6-coordinate geometry to six equivalent Ga atoms. There are three shorter (3.47 Å) and three longer (3.51 Å) Pr–Ga bond lengths. Co is bonded in a 7-coordinate geometry to seven Pr atoms. Ga is bonded in a 11-coordinate geometry to eleven Pr atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-504742

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; Pr8Ga3Co; Co-Ga-Pr

OSTI Identifier:: 1262029

DOI:: https://doi.org/10.17188/1262029

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                    The Materials Project. Materials Data on Pr8Ga3Co by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262029.

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                    The Materials Project. Materials Data on Pr8Ga3Co by Materials Project.  United States.  doi:https://doi.org/10.17188/1262029

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                    The Materials Project. 2020.  
"Materials Data on Pr8Ga3Co by Materials Project".  United States.  doi:https://doi.org/10.17188/1262029.  https://www.osti.gov/servlets/purl/1262029. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1262029,

  title        = {Materials Data on Pr8Ga3Co by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr8CoGa3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Pr sites. In the first Pr site, Pr is bonded in a 4-coordinate geometry to one Co and four equivalent Ga atoms. The Pr–Co bond length is 3.02 Å. There are a spread of Pr–Ga bond distances ranging from 3.08–3.80 Å. In the second Pr site, Pr is bonded in a distorted tetrahedral geometry to one Co and three equivalent Ga atoms. The Pr–Co bond length is 2.69 Å. All Pr–Ga bond lengths are 3.26 Å. In the third Pr site, Pr is bonded in a 3-coordinate geometry to one Co and four equivalent Ga atoms. The Pr–Co bond length is 2.87 Å. There are two shorter (3.28 Å) and two longer (3.91 Å) Pr–Ga bond lengths. In the fourth Pr site, Pr is bonded in a 6-coordinate geometry to six equivalent Ga atoms. There are three shorter (3.47 Å) and three longer (3.51 Å) Pr–Ga bond lengths. Co is bonded in a 7-coordinate geometry to seven Pr atoms. Ga is bonded in a 11-coordinate geometry to eleven Pr atoms.},

  doi          = {10.17188/1262029},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1262029

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