Materials Data on TiZnHg2 by Materials Project

doi:10.17188/1688189

Title: Materials Data on TiZnHg2 by Materials Project

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Abstract

TiHg2Zn is Tetraauricupride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Hg and four equivalent Zn atoms to form distorted TiZn4Hg8 cuboctahedra that share corners with twelve equivalent TiZn4Hg8 cuboctahedra, edges with eight equivalent ZnTi4Hg8 cuboctahedra, faces with four equivalent ZnTi4Hg8 cuboctahedra, and faces with six equivalent TiZn4Hg8 cuboctahedra. All Ti–Hg bond lengths are 2.94 Å. All Ti–Zn bond lengths are 3.13 Å. Hg is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Zn atoms. All Hg–Zn bond lengths are 2.94 Å. Zn is bonded to four equivalent Ti and eight equivalent Hg atoms to form ZnTi4Hg8 cuboctahedra that share corners with twelve equivalent ZnTi4Hg8 cuboctahedra, edges with eight equivalent TiZn4Hg8 cuboctahedra, faces with four equivalent TiZn4Hg8 cuboctahedra, and faces with six equivalent ZnTi4Hg8 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1216652

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; TiZnHg2; Hg-Ti-Zn

OSTI Identifier:: 1688189

DOI:: https://doi.org/10.17188/1688189

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                    The Materials Project. Materials Data on TiZnHg2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1688189.

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                    The Materials Project. Materials Data on TiZnHg2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1688189

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                    The Materials Project. 2019.  
"Materials Data on TiZnHg2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1688189.  https://www.osti.gov/servlets/purl/1688189. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1688189,

  title        = {Materials Data on TiZnHg2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TiHg2Zn is Tetraauricupride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Hg and four equivalent Zn atoms to form distorted TiZn4Hg8 cuboctahedra that share corners with twelve equivalent TiZn4Hg8 cuboctahedra, edges with eight equivalent ZnTi4Hg8 cuboctahedra, faces with four equivalent ZnTi4Hg8 cuboctahedra, and faces with six equivalent TiZn4Hg8 cuboctahedra. All Ti–Hg bond lengths are 2.94 Å. All Ti–Zn bond lengths are 3.13 Å. Hg is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Zn atoms. All Hg–Zn bond lengths are 2.94 Å. Zn is bonded to four equivalent Ti and eight equivalent Hg atoms to form ZnTi4Hg8 cuboctahedra that share corners with twelve equivalent ZnTi4Hg8 cuboctahedra, edges with eight equivalent TiZn4Hg8 cuboctahedra, faces with four equivalent TiZn4Hg8 cuboctahedra, and faces with six equivalent ZnTi4Hg8 cuboctahedra.},

  doi          = {10.17188/1688189},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1688189

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