Materials Data on Ta5Ga3 by Materials Project

doi:10.17188/1274394

Title: Materials Data on Ta5Ga3 by Materials Project

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Abstract

Ta5Ga3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Ta–Ga bond distances ranging from 2.72–2.97 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ta and four equivalent Ga atoms. Both Ta–Ta bond lengths are 2.58 Å. All Ta–Ga bond lengths are 2.73 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to ten Ta atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Ta and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.58 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-568376

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; Ta5Ga3; Ga-Ta

OSTI Identifier:: 1274394

DOI:: https://doi.org/10.17188/1274394

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                    The Materials Project. Materials Data on Ta5Ga3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274394.

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                    The Materials Project. Materials Data on Ta5Ga3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274394

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                    The Materials Project. 2020.  
"Materials Data on Ta5Ga3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274394.  https://www.osti.gov/servlets/purl/1274394. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1274394,

  title        = {Materials Data on Ta5Ga3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ta5Ga3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Ta–Ga bond distances ranging from 2.72–2.97 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ta and four equivalent Ga atoms. Both Ta–Ta bond lengths are 2.58 Å. All Ta–Ga bond lengths are 2.73 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to ten Ta atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Ta and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.58 Å.},

  doi          = {10.17188/1274394},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274394

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