Materials Data on RbHgSbTe3 by Materials Project

doi:10.17188/1695380

Title: Materials Data on RbHgSbTe3 by Materials Project

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Abstract

RbHgSbTe3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.76–4.09 Å. Hg2+ is bonded to four Te2- atoms to form HgTe4 tetrahedra that share corners with two equivalent HgTe4 tetrahedra and edges with four equivalent SbTe6 octahedra. There are a spread of Hg–Te bond distances ranging from 2.82–2.96 Å. Sb3+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with two equivalent SbTe6 octahedra, edges with two equivalent SbTe6 octahedra, and edges with four equivalent HgTe4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Sb–Te bond distances ranging from 2.91–3.47 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, one Hg2+, and two equivalent Sb3+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, one Hg2+, and two equivalent Sb3+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent Hg2+, and two equivalent Sb3+ atoms.

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-1219595

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; RbHgSbTe3; Hg-Rb-Sb-Te

OSTI Identifier:: 1695380

DOI:: https://doi.org/10.17188/1695380

Citation Formats


                    The Materials Project. Materials Data on RbHgSbTe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1695380.

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                    The Materials Project. Materials Data on RbHgSbTe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1695380

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                    The Materials Project. 2020.  
"Materials Data on RbHgSbTe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1695380.  https://www.osti.gov/servlets/purl/1695380. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1695380,

  title        = {Materials Data on RbHgSbTe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbHgSbTe3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.76–4.09 Å. Hg2+ is bonded to four Te2- atoms to form HgTe4 tetrahedra that share corners with two equivalent HgTe4 tetrahedra and edges with four equivalent SbTe6 octahedra. There are a spread of Hg–Te bond distances ranging from 2.82–2.96 Å. Sb3+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with two equivalent SbTe6 octahedra, edges with two equivalent SbTe6 octahedra, and edges with four equivalent HgTe4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Sb–Te bond distances ranging from 2.91–3.47 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, one Hg2+, and two equivalent Sb3+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, one Hg2+, and two equivalent Sb3+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent Hg2+, and two equivalent Sb3+ atoms.},

  doi          = {10.17188/1695380},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1695380

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