Materials Data on Ge2SeS by Materials Project

doi:10.17188/1689807

Title: Materials Data on Ge2SeS by Materials Project

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Abstract

Ge2SeS crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of two Ge2SeS sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ge2+ sites. In the first Ge2+ site, Ge2+ is bonded in a 5-coordinate geometry to two equivalent Se2- and one S2- atom. Both Ge–Se bond lengths are 2.58 Å. The Ge–S bond length is 2.44 Å. In the second Ge2+ site, Ge2+ is bonded in a 3-coordinate geometry to one Se2- and two equivalent S2- atoms. The Ge–Se bond length is 2.61 Å. Both Ge–S bond lengths are 2.48 Å. Se2- is bonded in a 3-coordinate geometry to three Ge2+ atoms. S2- is bonded in a trigonal non-coplanar geometry to three Ge2+ atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1224376

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; Ge2SeS; Ge-S-Se

OSTI Identifier:: 1689807

DOI:: https://doi.org/10.17188/1689807

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                    The Materials Project. Materials Data on Ge2SeS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1689807.

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                    The Materials Project. Materials Data on Ge2SeS by Materials Project.  United States.  doi:https://doi.org/10.17188/1689807

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                    The Materials Project. 2020.  
"Materials Data on Ge2SeS by Materials Project".  United States.  doi:https://doi.org/10.17188/1689807.  https://www.osti.gov/servlets/purl/1689807. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1689807,

  title        = {Materials Data on Ge2SeS by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ge2SeS crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of two Ge2SeS sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ge2+ sites. In the first Ge2+ site, Ge2+ is bonded in a 5-coordinate geometry to two equivalent Se2- and one S2- atom. Both Ge–Se bond lengths are 2.58 Å. The Ge–S bond length is 2.44 Å. In the second Ge2+ site, Ge2+ is bonded in a 3-coordinate geometry to one Se2- and two equivalent S2- atoms. The Ge–Se bond length is 2.61 Å. Both Ge–S bond lengths are 2.48 Å. Se2- is bonded in a 3-coordinate geometry to three Ge2+ atoms. S2- is bonded in a trigonal non-coplanar geometry to three Ge2+ atoms.},

  doi          = {10.17188/1689807},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1689807

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