Materials Data on Ba2GeS4 by Materials Project

doi:10.17188/1264807

Title: Materials Data on Ba2GeS4 by Materials Project

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Abstract

GeBa2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.25–3.66 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ba–S bond distances ranging from 3.13–3.59 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.21–2.24 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Ba2+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to five Ba2+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four Ba2+ and one Ge4+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-540805

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; Ba2GeS4; Ba-Ge-S

OSTI Identifier:: 1264807

DOI:: https://doi.org/10.17188/1264807

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                    The Materials Project. Materials Data on Ba2GeS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1264807.

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                    The Materials Project. Materials Data on Ba2GeS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1264807

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                    The Materials Project. 2020.  
"Materials Data on Ba2GeS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1264807.  https://www.osti.gov/servlets/purl/1264807. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1264807,

  title        = {Materials Data on Ba2GeS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GeBa2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.25–3.66 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ba–S bond distances ranging from 3.13–3.59 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.21–2.24 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Ba2+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to five Ba2+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four Ba2+ and one Ge4+ atom.},

  doi          = {10.17188/1264807},

  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/10.17188/1264807

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