Materials Data on Ti3In by Materials Project

doi:10.17188/1317444

Title: Materials Data on Ti3In by Materials Project

Dataset
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Abstract

Ti3In 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 distorted body-centered cubic geometry to four equivalent Ti and four equivalent In atoms. All Ti–Ti bond lengths are 2.88 Å. All Ti–In bond lengths are 2.88 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent In atoms. All Ti–In bond lengths are 3.32 Å. In is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.

Publication Date:: 2020-07-23

Other Number(s):: mp-998979

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; In-Ti; Ti3In; crystal structure

OSTI Identifier:: 1317444

DOI:: https://doi.org/10.17188/1317444

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                    Materials Data on Ti3In by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317444.

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                    Materials Data on Ti3In by Materials Project.  United States.  doi:https://doi.org/10.17188/1317444

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                    2020.  
"Materials Data on Ti3In by Materials Project".  United States.  doi:https://doi.org/10.17188/1317444.  https://www.osti.gov/servlets/purl/1317444. Pub date:Thu Jul 23 04:00:00 UTC 2020

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@article{osti_1317444,

  title        = {Materials Data on Ti3In by Materials Project},

  
  abstractNote = {Ti3In 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 distorted body-centered cubic geometry to four equivalent Ti and four equivalent In atoms. All Ti–Ti bond lengths are 2.88 Å. All Ti–In bond lengths are 2.88 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent In atoms. All Ti–In bond lengths are 3.32 Å. In is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.},

  doi          = {10.17188/1317444},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317444

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