Materials Data on Ti3Hg by Materials Project

doi:10.17188/1200796

Title: Materials Data on Ti3Hg by Materials Project

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Abstract

HgTi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Hg atoms to form distorted TiTi8Hg4 cuboctahedra that share corners with twelve equivalent TiTi8Hg4 cuboctahedra, edges with eight equivalent HgTi12 cuboctahedra, edges with sixteen equivalent TiTi8Hg4 cuboctahedra, faces with four equivalent HgTi12 cuboctahedra, and faces with fourteen equivalent TiTi8Hg4 cuboctahedra. All Ti–Ti bond lengths are 2.93 Å. All Ti–Hg bond lengths are 2.93 Å. Hg is bonded to twelve equivalent Ti atoms to form HgTi12 cuboctahedra that share corners with twelve equivalent HgTi12 cuboctahedra, edges with twenty-four equivalent TiTi8Hg4 cuboctahedra, faces with six equivalent HgTi12 cuboctahedra, and faces with twelve equivalent TiTi8Hg4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-2560

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; Ti3Hg; Hg-Ti

OSTI Identifier:: 1200796

DOI:: https://doi.org/10.17188/1200796

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                    The Materials Project. Materials Data on Ti3Hg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200796.

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                    The Materials Project. Materials Data on Ti3Hg by Materials Project.  United States.  doi:https://doi.org/10.17188/1200796

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                    The Materials Project. 2020.  
"Materials Data on Ti3Hg by Materials Project".  United States.  doi:https://doi.org/10.17188/1200796.  https://www.osti.gov/servlets/purl/1200796. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1200796,

  title        = {Materials Data on Ti3Hg by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HgTi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Hg atoms to form distorted TiTi8Hg4 cuboctahedra that share corners with twelve equivalent TiTi8Hg4 cuboctahedra, edges with eight equivalent HgTi12 cuboctahedra, edges with sixteen equivalent TiTi8Hg4 cuboctahedra, faces with four equivalent HgTi12 cuboctahedra, and faces with fourteen equivalent TiTi8Hg4 cuboctahedra. All Ti–Ti bond lengths are 2.93 Å. All Ti–Hg bond lengths are 2.93 Å. Hg is bonded to twelve equivalent Ti atoms to form HgTi12 cuboctahedra that share corners with twelve equivalent HgTi12 cuboctahedra, edges with twenty-four equivalent TiTi8Hg4 cuboctahedra, faces with six equivalent HgTi12 cuboctahedra, and faces with twelve equivalent TiTi8Hg4 cuboctahedra.},

  doi          = {10.17188/1200796},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1200796

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