Materials Data on Mg2Ti by Materials Project

doi:10.17188/1663023

Title: Materials Data on Mg2Ti by Materials Project

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Abstract

Mg2Ti is beta-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to seven equivalent Mg and five equivalent Ti atoms to form distorted MgMg7Ti5 cuboctahedra that share corners with nine equivalent MgMg7Ti5 cuboctahedra, corners with nine equivalent TiMg10Ti2 cuboctahedra, edges with four equivalent TiMg10Ti2 cuboctahedra, edges with fourteen equivalent MgMg7Ti5 cuboctahedra, faces with seven equivalent TiMg10Ti2 cuboctahedra, and faces with thirteen equivalent MgMg7Ti5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.18 Å. There are a spread of Mg–Ti bond distances ranging from 3.02–3.21 Å. Ti is bonded to ten equivalent Mg and two equivalent Ti atoms to form TiMg10Ti2 cuboctahedra that share corners with eighteen equivalent MgMg7Ti5 cuboctahedra, edges with eight equivalent MgMg7Ti5 cuboctahedra, edges with ten equivalent TiMg10Ti2 cuboctahedra, faces with six equivalent TiMg10Ti2 cuboctahedra, and faces with fourteen equivalent MgMg7Ti5 cuboctahedra. Both Ti–Ti bond lengths are 2.89 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1094373

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; Mg2Ti; Mg-Ti

OSTI Identifier:: 1663023

DOI:: https://doi.org/10.17188/1663023

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                    The Materials Project. Materials Data on Mg2Ti by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663023.

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                    The Materials Project. Materials Data on Mg2Ti by Materials Project.  United States.  doi:https://doi.org/10.17188/1663023

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                    The Materials Project. 2020.  
"Materials Data on Mg2Ti by Materials Project".  United States.  doi:https://doi.org/10.17188/1663023.  https://www.osti.gov/servlets/purl/1663023. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1663023,

  title        = {Materials Data on Mg2Ti by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2Ti is beta-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to seven equivalent Mg and five equivalent Ti atoms to form distorted MgMg7Ti5 cuboctahedra that share corners with nine equivalent MgMg7Ti5 cuboctahedra, corners with nine equivalent TiMg10Ti2 cuboctahedra, edges with four equivalent TiMg10Ti2 cuboctahedra, edges with fourteen equivalent MgMg7Ti5 cuboctahedra, faces with seven equivalent TiMg10Ti2 cuboctahedra, and faces with thirteen equivalent MgMg7Ti5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.18 Å. There are a spread of Mg–Ti bond distances ranging from 3.02–3.21 Å. Ti is bonded to ten equivalent Mg and two equivalent Ti atoms to form TiMg10Ti2 cuboctahedra that share corners with eighteen equivalent MgMg7Ti5 cuboctahedra, edges with eight equivalent MgMg7Ti5 cuboctahedra, edges with ten equivalent TiMg10Ti2 cuboctahedra, faces with six equivalent TiMg10Ti2 cuboctahedra, and faces with fourteen equivalent MgMg7Ti5 cuboctahedra. Both Ti–Ti bond lengths are 2.89 Å.},

  doi          = {10.17188/1663023},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1663023

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