Materials Data on RbHgSbSe3 by Materials Project

doi:10.17188/1278973

Title: Materials Data on RbHgSbSe3 by Materials Project

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Abstract

RbHgSbSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.57–3.99 Å. Hg2+ is bonded to four Se2- atoms to form corner-sharing HgSe4 tetrahedra. There are two shorter (2.67 Å) and two longer (2.84 Å) Hg–Se bond lengths. Sb3+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are two shorter (2.64 Å) and one longer (2.66 Å) Sb–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, one Hg2+, and one Sb3+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, one Hg2+, and one Sb3+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Rb1+, two equivalent Hg2+, and one Sb3+ atom.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-6300

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; RbHgSbSe3; Hg-Rb-Sb-Se

OSTI Identifier:: 1278973

DOI:: https://doi.org/10.17188/1278973

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                    The Materials Project. Materials Data on RbHgSbSe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278973.

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                    The Materials Project. Materials Data on RbHgSbSe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278973

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                    The Materials Project. 2020.  
"Materials Data on RbHgSbSe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278973.  https://www.osti.gov/servlets/purl/1278973. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1278973,

  title        = {Materials Data on RbHgSbSe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbHgSbSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.57–3.99 Å. Hg2+ is bonded to four Se2- atoms to form corner-sharing HgSe4 tetrahedra. There are two shorter (2.67 Å) and two longer (2.84 Å) Hg–Se bond lengths. Sb3+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are two shorter (2.64 Å) and one longer (2.66 Å) Sb–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, one Hg2+, and one Sb3+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, one Hg2+, and one Sb3+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Rb1+, two equivalent Hg2+, and one Sb3+ atom.},

  doi          = {10.17188/1278973},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1278973

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