Materials Data on Mg2Ti by Materials Project

doi:10.17188/1685651

Title: Materials Data on Mg2Ti by Materials Project

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Abstract

Mg2Ti is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to nine equivalent Mg and three equivalent Ti atoms to form MgMg9Ti3 cuboctahedra that share corners with six equivalent TiMg6Ti6 cuboctahedra, corners with twelve equivalent MgMg9Ti3 cuboctahedra, edges with six equivalent TiMg6Ti6 cuboctahedra, edges with twelve equivalent MgMg9Ti3 cuboctahedra, faces with seven equivalent TiMg6Ti6 cuboctahedra, and faces with thirteen equivalent MgMg9Ti3 cuboctahedra. There are six shorter (3.02 Å) and three longer (3.18 Å) Mg–Mg bond lengths. All Mg–Ti bond lengths are 3.06 Å. Ti is bonded to six equivalent Mg and six equivalent Ti atoms to form TiMg6Ti6 cuboctahedra that share corners with six equivalent TiMg6Ti6 cuboctahedra, corners with twelve equivalent MgMg9Ti3 cuboctahedra, edges with six equivalent TiMg6Ti6 cuboctahedra, edges with twelve equivalent MgMg9Ti3 cuboctahedra, faces with six equivalent TiMg6Ti6 cuboctahedra, and faces with fourteen equivalent MgMg9Ti3 cuboctahedra. All Ti–Ti bond lengths are 3.02 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1094362

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:: 1685651

DOI:: https://doi.org/10.17188/1685651

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                    The Materials Project. Materials Data on Mg2Ti by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685651.

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                    The Materials Project. Materials Data on Mg2Ti by Materials Project.  United States.  doi:https://doi.org/10.17188/1685651

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                    The Materials Project. 2020.  
"Materials Data on Mg2Ti by Materials Project".  United States.  doi:https://doi.org/10.17188/1685651.  https://www.osti.gov/servlets/purl/1685651. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1685651,

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

  author       = {The Materials Project},

  abstractNote = {Mg2Ti is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to nine equivalent Mg and three equivalent Ti atoms to form MgMg9Ti3 cuboctahedra that share corners with six equivalent TiMg6Ti6 cuboctahedra, corners with twelve equivalent MgMg9Ti3 cuboctahedra, edges with six equivalent TiMg6Ti6 cuboctahedra, edges with twelve equivalent MgMg9Ti3 cuboctahedra, faces with seven equivalent TiMg6Ti6 cuboctahedra, and faces with thirteen equivalent MgMg9Ti3 cuboctahedra. There are six shorter (3.02 Å) and three longer (3.18 Å) Mg–Mg bond lengths. All Mg–Ti bond lengths are 3.06 Å. Ti is bonded to six equivalent Mg and six equivalent Ti atoms to form TiMg6Ti6 cuboctahedra that share corners with six equivalent TiMg6Ti6 cuboctahedra, corners with twelve equivalent MgMg9Ti3 cuboctahedra, edges with six equivalent TiMg6Ti6 cuboctahedra, edges with twelve equivalent MgMg9Ti3 cuboctahedra, faces with six equivalent TiMg6Ti6 cuboctahedra, and faces with fourteen equivalent MgMg9Ti3 cuboctahedra. All Ti–Ti bond lengths are 3.02 Å.},

  doi          = {10.17188/1685651},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685651

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