Materials Data on Ta5Si3 by Materials Project

doi:10.17188/1275621

Title: Materials Data on Ta5Si3 by Materials Project

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Abstract

Ta5Si3 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 Si atoms. There are a spread of Ta–Si bond distances ranging from 2.65–2.94 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ta and four equivalent Si atoms. Both Ta–Ta bond lengths are 2.55 Å. All Ta–Si bond lengths are 2.67 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to ten Ta atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to eight equivalent Ta and two equivalent Si atoms. Both Si–Si bond lengths are 2.55 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-570287

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; Ta5Si3; Si-Ta

OSTI Identifier:: 1275621

DOI:: https://doi.org/10.17188/1275621

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                    The Materials Project. Materials Data on Ta5Si3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275621.

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                    The Materials Project. Materials Data on Ta5Si3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275621

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                    The Materials Project. 2020.  
"Materials Data on Ta5Si3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275621.  https://www.osti.gov/servlets/purl/1275621. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1275621,

  title        = {Materials Data on Ta5Si3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ta5Si3 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 Si atoms. There are a spread of Ta–Si bond distances ranging from 2.65–2.94 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ta and four equivalent Si atoms. Both Ta–Ta bond lengths are 2.55 Å. All Ta–Si bond lengths are 2.67 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to ten Ta atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to eight equivalent Ta and two equivalent Si atoms. Both Si–Si bond lengths are 2.55 Å.},

  doi          = {10.17188/1275621},

  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/10.17188/1275621

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