Materials Data on Nb5GaSn2 by Materials Project

doi:10.17188/1192402

Title: Materials Data on Nb5GaSn2 by Materials Project

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Abstract

Nb5Sn2Ga crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to two equivalent Nb and four equivalent Sn atoms. Both Nb–Nb bond lengths are 2.60 Å. All Nb–Sn bond lengths are 2.87 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to two equivalent Ga and four equivalent Sn atoms. Both Nb–Ga bond lengths are 2.78 Å. There are two shorter (2.84 Å) and two longer (3.06 Å) Nb–Sn bond lengths. Ga is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.60 Å. Sn is bonded in a 10-coordinate geometry to ten Nb atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-17230

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; Nb5GaSn2; Ga-Nb-Sn

OSTI Identifier:: 1192402

DOI:: https://doi.org/10.17188/1192402

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                    The Materials Project. Materials Data on Nb5GaSn2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192402.

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                    The Materials Project. Materials Data on Nb5GaSn2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192402

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                    The Materials Project. 2020.  
"Materials Data on Nb5GaSn2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192402.  https://www.osti.gov/servlets/purl/1192402. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1192402,

  title        = {Materials Data on Nb5GaSn2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb5Sn2Ga crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to two equivalent Nb and four equivalent Sn atoms. Both Nb–Nb bond lengths are 2.60 Å. All Nb–Sn bond lengths are 2.87 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to two equivalent Ga and four equivalent Sn atoms. Both Nb–Ga bond lengths are 2.78 Å. There are two shorter (2.84 Å) and two longer (3.06 Å) Nb–Sn bond lengths. Ga is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.60 Å. Sn is bonded in a 10-coordinate geometry to ten Nb atoms.},

  doi          = {10.17188/1192402},

  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/10.17188/1192402

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