Materials Data on K2Hg3(GeS4)2 by Materials Project

doi:10.17188/1187586

Title: Materials Data on K2Hg3(GeS4)2 by Materials Project

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Abstract

K2Hg3(GeS4)2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.27–3.56 Å. There are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted linear geometry to four S2- atoms. There are two shorter (2.38 Å) and two longer (3.32 Å) Hg–S bond lengths. In the second Hg2+ site, Hg2+ is bonded in a see-saw-like geometry to four S2- atoms. There are two shorter (2.47 Å) and two longer (2.90 Å) Hg–S bond lengths. In the third Hg2+ site, Hg2+ is bonded in a distorted see-saw-like geometry to four S2- atoms. There are two shorter (2.47 Å) and two longer (2.88 Å) Hg–S bond lengths. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.19–2.28 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Hg2+, and one Ge4+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent K1+,more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-11131

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; K2Hg3(GeS4)2; Ge-Hg-K-S

OSTI Identifier:: 1187586

DOI:: https://doi.org/10.17188/1187586

Citation Formats


                    The Materials Project. Materials Data on K2Hg3(GeS4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187586.

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                    The Materials Project. Materials Data on K2Hg3(GeS4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187586

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                    The Materials Project. 2020.  
"Materials Data on K2Hg3(GeS4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187586.  https://www.osti.gov/servlets/purl/1187586. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1187586,

  title        = {Materials Data on K2Hg3(GeS4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Hg3(GeS4)2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.27–3.56 Å. There are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted linear geometry to four S2- atoms. There are two shorter (2.38 Å) and two longer (3.32 Å) Hg–S bond lengths. In the second Hg2+ site, Hg2+ is bonded in a see-saw-like geometry to four S2- atoms. There are two shorter (2.47 Å) and two longer (2.90 Å) Hg–S bond lengths. In the third Hg2+ site, Hg2+ is bonded in a distorted see-saw-like geometry to four S2- atoms. There are two shorter (2.47 Å) and two longer (2.88 Å) Hg–S bond lengths. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.19–2.28 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Hg2+, and one Ge4+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Hg2+, and one Ge4+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent K1+, two Hg2+, and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to one K1+, two Hg2+, and one Ge4+ atom.},

  doi          = {10.17188/1187586},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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