Materials Data on Ti3Si by Materials Project

doi:10.17188/1317449

Title: Materials Data on Ti3Si by Materials Project

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Abstract

Ti3Si is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Si atoms. All Ti–Ti bond lengths are 2.72 Å. All Ti–Si bond lengths are 2.72 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Si atoms. All Ti–Si bond lengths are 3.14 Å. Si is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-21

Other Number(s):: mp-998986

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; Ti3Si; Si-Ti

OSTI Identifier:: 1317449

DOI:: https://doi.org/10.17188/1317449

Citation Formats


                    The Materials Project. Materials Data on Ti3Si by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317449.

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                    The Materials Project. Materials Data on Ti3Si by Materials Project.  United States.  doi:https://doi.org/10.17188/1317449

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                    The Materials Project. 2020.  
"Materials Data on Ti3Si by Materials Project".  United States.  doi:https://doi.org/10.17188/1317449.  https://www.osti.gov/servlets/purl/1317449. Pub date:Tue Jul 21 00:00:00 EDT 2020

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@article{osti_1317449,

  title        = {Materials Data on Ti3Si by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti3Si is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Si atoms. All Ti–Ti bond lengths are 2.72 Å. All Ti–Si bond lengths are 2.72 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Si atoms. All Ti–Si bond lengths are 3.14 Å. Si is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.},

  doi          = {10.17188/1317449},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317449

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