Materials Data on K2Ge2S5 by Materials Project

doi:10.17188/1266296

Title: Materials Data on K2Ge2S5 by Materials Project

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Abstract

K2Ge2S5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.22–3.64 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.27–3.62 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.14–2.28 Å. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.14–2.28 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two K1+ and two Ge4+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three K1+ and two Ge4+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three K1+ and onemore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-541878

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; K2Ge2S5; Ge-K-S

OSTI Identifier:: 1266296

DOI:: https://doi.org/10.17188/1266296

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                    The Materials Project. Materials Data on K2Ge2S5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266296.

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                    The Materials Project. Materials Data on K2Ge2S5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266296

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                    The Materials Project. 2020.  
"Materials Data on K2Ge2S5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266296.  https://www.osti.gov/servlets/purl/1266296. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1266296,

  title        = {Materials Data on K2Ge2S5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Ge2S5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.22–3.64 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.27–3.62 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.14–2.28 Å. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.14–2.28 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two K1+ and two Ge4+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three K1+ and two Ge4+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three K1+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three K1+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Ge4+ atoms. In the sixth S2- site, S2- is bonded in a distorted water-like geometry to two equivalent K1+ and two equivalent Ge4+ atoms.},

  doi          = {10.17188/1266296},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1266296

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