Materials Data on Pr5Ga3 by Materials Project

doi:10.17188/1656045

Title: Materials Data on Pr5Ga3 by Materials Project

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Abstract

Pr5Ga3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Pr–Ga bond distances ranging from 3.25–3.39 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to two equivalent Pr and four equivalent Ga atoms. Both Pr–Pr bond lengths are 2.91 Å. All Pr–Ga bond lengths are 3.20 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to ten Pr atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Pr and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.91 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 19 00:00:00 EDT 2018

Other Number(s):: mp-1105805

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; Pr5Ga3; Ga-Pr

OSTI Identifier:: 1656045

DOI:: https://doi.org/10.17188/1656045

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                    The Materials Project. Materials Data on Pr5Ga3 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1656045.

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                    The Materials Project. Materials Data on Pr5Ga3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1656045

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                    The Materials Project. 2018.  
"Materials Data on Pr5Ga3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1656045.  https://www.osti.gov/servlets/purl/1656045. Pub date:Thu Jul 19 00:00:00 EDT 2018

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@article{osti_1656045,

  title        = {Materials Data on Pr5Ga3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr5Ga3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Pr–Ga bond distances ranging from 3.25–3.39 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to two equivalent Pr and four equivalent Ga atoms. Both Pr–Pr bond lengths are 2.91 Å. All Pr–Ga bond lengths are 3.20 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to ten Pr atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Pr and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.91 Å.},

  doi          = {10.17188/1656045},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 19 00:00:00 EDT 2018},

  month        = {Thu Jul 19 00:00:00 EDT 2018}

}

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DOI: https://doi.org/10.17188/1656045

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