Materials Data on Pr3GaCo3 by Materials Project

doi:10.17188/1710929

Title: Materials Data on Pr3GaCo3 by Materials Project

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Abstract

Pr3Co3Ga crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 9-coordinate geometry to six Co and three equivalent Ga atoms. There are a spread of Pr–Co bond distances ranging from 2.95–3.03 Å. There are two shorter (3.31 Å) and one longer (3.34 Å) Pr–Ga bond lengths. In the second Pr site, Pr is bonded in a 9-coordinate geometry to seven Co and two equivalent Ga atoms. There are a spread of Pr–Co bond distances ranging from 2.89–3.18 Å. Both Pr–Ga bond lengths are 3.32 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to six Pr, one Co, and two equivalent Ga atoms. The Co–Co bond length is 2.42 Å. Both Co–Ga bond lengths are 2.55 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to seven Pr and two equivalent Co atoms. Ga is bonded to eight Pr and four equivalent Co atoms to form a mixture of distorted edge, face, and corner-sharing GaPr8Co4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1104827

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; Pr3GaCo3; Co-Ga-Pr

OSTI Identifier:: 1710929

DOI:: https://doi.org/10.17188/1710929

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                    The Materials Project. Materials Data on Pr3GaCo3 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1710929.

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                    The Materials Project. Materials Data on Pr3GaCo3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1710929

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                    The Materials Project. 2018.  
"Materials Data on Pr3GaCo3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1710929.  https://www.osti.gov/servlets/purl/1710929. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1710929,

  title        = {Materials Data on Pr3GaCo3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr3Co3Ga crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 9-coordinate geometry to six Co and three equivalent Ga atoms. There are a spread of Pr–Co bond distances ranging from 2.95–3.03 Å. There are two shorter (3.31 Å) and one longer (3.34 Å) Pr–Ga bond lengths. In the second Pr site, Pr is bonded in a 9-coordinate geometry to seven Co and two equivalent Ga atoms. There are a spread of Pr–Co bond distances ranging from 2.89–3.18 Å. Both Pr–Ga bond lengths are 3.32 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to six Pr, one Co, and two equivalent Ga atoms. The Co–Co bond length is 2.42 Å. Both Co–Ga bond lengths are 2.55 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to seven Pr and two equivalent Co atoms. Ga is bonded to eight Pr and four equivalent Co atoms to form a mixture of distorted edge, face, and corner-sharing GaPr8Co4 cuboctahedra.},

  doi          = {10.17188/1710929},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1710929

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