Materials Data on NdGa2Ni by Materials Project

doi:10.17188/1187797

Title: Materials Data on NdGa2Ni by Materials Project

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Abstract

NdNiGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to four equivalent Ni and ten Ga atoms. All Nd–Ni bond lengths are 3.20 Å. There are a spread of Nd–Ga bond distances ranging from 3.19–3.35 Å. Ni is bonded in a 10-coordinate geometry to four equivalent Nd, one Ni, and five Ga atoms. The Ni–Ni bond length is 2.57 Å. There are a spread of Ni–Ga bond distances ranging from 2.39–2.46 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Nd, four equivalent Ni, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.96 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to six equivalent Nd, one Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.55 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Nd, four equivalent Ni, and four equivalent Ga atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-11396

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; NdGa2Ni; Ga-Nd-Ni

OSTI Identifier:: 1187797

DOI:: https://doi.org/10.17188/1187797

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                    The Materials Project. Materials Data on NdGa2Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187797.

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                    The Materials Project. Materials Data on NdGa2Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1187797

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                    The Materials Project. 2020.  
"Materials Data on NdGa2Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1187797.  https://www.osti.gov/servlets/purl/1187797. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1187797,

  title        = {Materials Data on NdGa2Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdNiGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to four equivalent Ni and ten Ga atoms. All Nd–Ni bond lengths are 3.20 Å. There are a spread of Nd–Ga bond distances ranging from 3.19–3.35 Å. Ni is bonded in a 10-coordinate geometry to four equivalent Nd, one Ni, and five Ga atoms. The Ni–Ni bond length is 2.57 Å. There are a spread of Ni–Ga bond distances ranging from 2.39–2.46 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Nd, four equivalent Ni, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.96 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to six equivalent Nd, one Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.55 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Nd, four equivalent Ni, and four equivalent Ga atoms.},

  doi          = {10.17188/1187797},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187797

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