Materials Data on Ba(GaPt)2 by Materials Project

doi:10.17188/1262158

Title: Materials Data on Ba(GaPt)2 by Materials Project

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Abstract

Ba(PtGa)2 is alpha Pu-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba is bonded in a 2-coordinate geometry to eight Pt and nine Ga atoms. There are a spread of Ba–Pt bond distances ranging from 3.32–4.01 Å. There are a spread of Ba–Ga bond distances ranging from 3.44–3.89 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent Ba and four Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.47–2.56 Å. In the second Pt site, Pt is bonded in a 6-coordinate geometry to four equivalent Ba and four Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.49–2.59 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to four equivalent Ba and four Pt atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to five equivalent Ba and four Pt atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-504985

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; Ba(GaPt)2; Ba-Ga-Pt

OSTI Identifier:: 1262158

DOI:: https://doi.org/10.17188/1262158

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                    The Materials Project. Materials Data on Ba(GaPt)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262158.

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                    The Materials Project. Materials Data on Ba(GaPt)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262158

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                    The Materials Project. 2020.  
"Materials Data on Ba(GaPt)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262158.  https://www.osti.gov/servlets/purl/1262158. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1262158,

  title        = {Materials Data on Ba(GaPt)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba(PtGa)2 is alpha Pu-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba is bonded in a 2-coordinate geometry to eight Pt and nine Ga atoms. There are a spread of Ba–Pt bond distances ranging from 3.32–4.01 Å. There are a spread of Ba–Ga bond distances ranging from 3.44–3.89 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent Ba and four Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.47–2.56 Å. In the second Pt site, Pt is bonded in a 6-coordinate geometry to four equivalent Ba and four Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.49–2.59 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to four equivalent Ba and four Pt atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to five equivalent Ba and four Pt atoms.},

  doi          = {10.17188/1262158},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262158

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