Materials Data on Cs2Hg3(GeS4)2 by Materials Project

doi:10.17188/1738186

Title: Materials Data on Cs2Hg3(GeS4)2 by Materials Project

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Abstract

Cs2Hg3(GeS4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.62–4.01 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Hg–S bond distances ranging from 2.46–3.10 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two equivalent S2- atoms. Both Hg–S bond lengths are 2.38 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.24–2.28 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Hg2+, and one Ge4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Cs1+, one Hg2+, and one Ge4+ atom. In the third S2- site, S2- is bonded in a distorted L-shaped geometry to two equivalent Cs1+, one Hg2+, and one Ge4+ atom. In the fourth S2- site, S2- is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: Sat May 09 00:00:00 EDT 2020

Other Number(s):: mp-1213712

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; Cs2Hg3(GeS4)2; Cs-Ge-Hg-S

OSTI Identifier:: 1738186

DOI:: https://doi.org/10.17188/1738186

Citation Formats


                    The Materials Project. Materials Data on Cs2Hg3(GeS4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738186.

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                    The Materials Project. Materials Data on Cs2Hg3(GeS4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738186

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                    The Materials Project. 2020.  
"Materials Data on Cs2Hg3(GeS4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738186.  https://www.osti.gov/servlets/purl/1738186. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1738186,

  title        = {Materials Data on Cs2Hg3(GeS4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2Hg3(GeS4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.62–4.01 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Hg–S bond distances ranging from 2.46–3.10 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two equivalent S2- atoms. Both Hg–S bond lengths are 2.38 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.24–2.28 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Hg2+, and one Ge4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Cs1+, one Hg2+, and one Ge4+ atom. In the third S2- site, S2- is bonded in a distorted L-shaped geometry to two equivalent Cs1+, one Hg2+, and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, two equivalent Hg2+, and one Ge4+ atom.},

  doi          = {10.17188/1738186},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 09 00:00:00 EDT 2020},

  month        = {Sat May 09 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1738186

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