Materials Data on Mg3Ti by Materials Project

doi:10.17188/1695949

Title: Materials Data on Mg3Ti by Materials Project

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Abstract

Mg3Ti is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Ti atoms. All Mg–Mg bond lengths are 2.99 Å. All Mg–Ti bond lengths are 3.45 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ti atoms. All Mg–Ti bond lengths are 2.99 Å. Ti is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.

Publication Date:: 2020-05-04

Other Number(s):: mp-1094358

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; Mg-Ti; Mg3Ti; crystal structure

OSTI Identifier:: 1695949

DOI:: https://doi.org/10.17188/1695949

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                    Materials Data on Mg3Ti by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1695949.

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                    Materials Data on Mg3Ti by Materials Project.  United States.  doi:https://doi.org/10.17188/1695949

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                    2020.  
"Materials Data on Mg3Ti by Materials Project".  United States.  doi:https://doi.org/10.17188/1695949.  https://www.osti.gov/servlets/purl/1695949. Pub date:Mon May 04 04:00:00 UTC 2020

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@article{osti_1695949,

  title        = {Materials Data on Mg3Ti by Materials Project},

  
  abstractNote = {Mg3Ti is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Ti atoms. All Mg–Mg bond lengths are 2.99 Å. All Mg–Ti bond lengths are 3.45 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ti atoms. All Mg–Ti bond lengths are 2.99 Å. Ti is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.},

  doi          = {10.17188/1695949},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1695949

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