Materials Data on Nd3Ga2 by Materials Project

doi:10.17188/1729321

Title: Materials Data on Nd3Ga2 by Materials Project

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Abstract

Nd3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.03–3.83 Å. In the second Nd site, Nd is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.12–3.68 Å. In the third Nd site, Nd is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.10–3.44 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Nd atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Nd atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to nine Nd and one Ga atom. The Ga–Ga bond length is 2.87 Å.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1203103

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; Nd3Ga2; Ga-Nd

OSTI Identifier:: 1729321

DOI:: https://doi.org/10.17188/1729321

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                    The Materials Project. Materials Data on Nd3Ga2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729321.

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                    The Materials Project. Materials Data on Nd3Ga2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729321

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                    The Materials Project. 2020.  
"Materials Data on Nd3Ga2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729321.  https://www.osti.gov/servlets/purl/1729321. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1729321,

  title        = {Materials Data on Nd3Ga2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.03–3.83 Å. In the second Nd site, Nd is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.12–3.68 Å. In the third Nd site, Nd is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.10–3.44 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Nd atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Nd atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to nine Nd and one Ga atom. The Ga–Ga bond length is 2.87 Å.},

  doi          = {10.17188/1729321},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1729321

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