Materials Data on NdGa3Ag by Materials Project

doi:10.17188/1654385

Title: Materials Data on NdGa3Ag by Materials Project

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Abstract

NdAgGa3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Ag and twelve Ga atoms. All Nd–Ag bond lengths are 3.39 Å. There are a spread of Nd–Ga bond distances ranging from 3.22–3.66 Å. Ag is bonded in a 9-coordinate geometry to four equivalent Nd and five Ga atoms. There are one shorter (2.52 Å) and four longer (2.62 Å) Ag–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Nd, one Ag, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.68 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Nd, two equivalent Ag, and six Ga atoms. All Ga–Ga bond lengths are 3.05 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1220217

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; NdGa3Ag; Ag-Ga-Nd

OSTI Identifier:: 1654385

DOI:: https://doi.org/10.17188/1654385

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                    The Materials Project. Materials Data on NdGa3Ag by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1654385.

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                    The Materials Project. Materials Data on NdGa3Ag by Materials Project.  United States.  doi:https://doi.org/10.17188/1654385

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                    The Materials Project. 2020.  
"Materials Data on NdGa3Ag by Materials Project".  United States.  doi:https://doi.org/10.17188/1654385.  https://www.osti.gov/servlets/purl/1654385. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1654385,

  title        = {Materials Data on NdGa3Ag by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdAgGa3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Ag and twelve Ga atoms. All Nd–Ag bond lengths are 3.39 Å. There are a spread of Nd–Ga bond distances ranging from 3.22–3.66 Å. Ag is bonded in a 9-coordinate geometry to four equivalent Nd and five Ga atoms. There are one shorter (2.52 Å) and four longer (2.62 Å) Ag–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Nd, one Ag, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.68 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Nd, two equivalent Ag, and six Ga atoms. All Ga–Ga bond lengths are 3.05 Å.},

  doi          = {10.17188/1654385},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1654385

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