Materials Data on Hg2TeSe by Materials Project

doi:10.17188/1721821

Title: Materials Data on Hg2TeSe by Materials Project

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Abstract

Hg2TeSe is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hg2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form a mixture of edge and corner-sharing HgTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Te bond lengths are 3.05 Å. All Hg–Se bond lengths are 2.93 Å. Te2- is bonded to six equivalent Hg2+ atoms to form TeHg6 octahedra that share corners with six equivalent SeHg6 octahedra, edges with six equivalent TeHg6 octahedra, and edges with six equivalent SeHg6 octahedra. The corner-sharing octahedral tilt angles are 3°. Se2- is bonded to six equivalent Hg2+ atoms to form SeHg6 octahedra that share corners with six equivalent TeHg6 octahedra, edges with six equivalent TeHg6 octahedra, and edges with six equivalent SeHg6 octahedra. The corner-sharing octahedral tilt angles are 3°.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1223922

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; Hg2TeSe; Hg-Se-Te

OSTI Identifier:: 1721821

DOI:: https://doi.org/10.17188/1721821

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                    The Materials Project. Materials Data on Hg2TeSe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1721821.

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                    The Materials Project. Materials Data on Hg2TeSe by Materials Project.  United States.  doi:https://doi.org/10.17188/1721821

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                    The Materials Project. 2020.  
"Materials Data on Hg2TeSe by Materials Project".  United States.  doi:https://doi.org/10.17188/1721821.  https://www.osti.gov/servlets/purl/1721821. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1721821,

  title        = {Materials Data on Hg2TeSe by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Hg2TeSe is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hg2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form a mixture of edge and corner-sharing HgTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Te bond lengths are 3.05 Å. All Hg–Se bond lengths are 2.93 Å. Te2- is bonded to six equivalent Hg2+ atoms to form TeHg6 octahedra that share corners with six equivalent SeHg6 octahedra, edges with six equivalent TeHg6 octahedra, and edges with six equivalent SeHg6 octahedra. The corner-sharing octahedral tilt angles are 3°. Se2- is bonded to six equivalent Hg2+ atoms to form SeHg6 octahedra that share corners with six equivalent TeHg6 octahedra, edges with six equivalent TeHg6 octahedra, and edges with six equivalent SeHg6 octahedra. The corner-sharing octahedral tilt angles are 3°.},

  doi          = {10.17188/1721821},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1721821

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