Materials Data on Ge2S5 by Materials Project

doi:10.17188/1652542

Title: Materials Data on Ge2S5 by Materials Project

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Abstract

Ge2S5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 2,4,6,8,9,10-hexathia-1,3,5,7-tetragermaadamantane-1,3,5,7-tetrakisthiolanion molecules. there are four inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.20–2.26 Å. In the second Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.19–2.26 Å. In the third Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.20–2.26 Å. In the fourth Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.20–2.27 Å. There are ten inequivalent S+1.20- sites. In the first S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the second S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the third S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the fourth S+1.20- site, S+1.20-more »« less

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1193697

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; Ge2S5; Ge-S

OSTI Identifier:: 1652542

DOI:: https://doi.org/10.17188/1652542

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                    The Materials Project. Materials Data on Ge2S5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1652542.

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                    The Materials Project. Materials Data on Ge2S5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652542

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                    The Materials Project. 2019.  
"Materials Data on Ge2S5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652542.  https://www.osti.gov/servlets/purl/1652542. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1652542,

  title        = {Materials Data on Ge2S5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ge2S5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 2,4,6,8,9,10-hexathia-1,3,5,7-tetragermaadamantane-1,3,5,7-tetrakisthiolanion molecules. there are four inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.20–2.26 Å. In the second Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.19–2.26 Å. In the third Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.20–2.26 Å. In the fourth Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.20–2.27 Å. There are ten inequivalent S+1.20- sites. In the first S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the second S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the third S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the fourth S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the fifth S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the sixth S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the seventh S+1.20- site, S+1.20- is bonded in a single-bond geometry to one Ge3+ atom. In the eighth S+1.20- site, S+1.20- is bonded in a single-bond geometry to one Ge3+ atom. In the ninth S+1.20- site, S+1.20- is bonded in a single-bond geometry to one Ge3+ atom. In the tenth S+1.20- site, S+1.20- is bonded in a single-bond geometry to one Ge3+ atom.},

  doi          = {10.17188/1652542},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1652542

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