Materials Data on La2GeS5 by Materials Project

doi:10.17188/1734024

Title: Materials Data on La2GeS5 by Materials Project

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Abstract

La2GeS5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of La–S bond distances ranging from 2.78–3.39 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.79–3.46 Å. Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.16–2.44 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent La3+ and two equivalent Ge4+ atoms. In the third S2- site, S2- is bonded to three La3+ and one Ge4+ atom to form distorted corner-sharing SLa3Ge trigonal pyramids. In the fourth S2- site, S2- is bonded in a bent 120 degrees geometry to one La3+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to four La3+ atoms.

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1196611

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; La2GeS5; Ge-La-S

OSTI Identifier:: 1734024

DOI:: https://doi.org/10.17188/1734024

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                    The Materials Project. Materials Data on La2GeS5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1734024.

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                    The Materials Project. Materials Data on La2GeS5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734024

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                    The Materials Project. 2019.  
"Materials Data on La2GeS5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1734024.  https://www.osti.gov/servlets/purl/1734024. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1734024,

  title        = {Materials Data on La2GeS5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2GeS5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of La–S bond distances ranging from 2.78–3.39 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.79–3.46 Å. Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.16–2.44 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent La3+ and two equivalent Ge4+ atoms. In the third S2- site, S2- is bonded to three La3+ and one Ge4+ atom to form distorted corner-sharing SLa3Ge trigonal pyramids. In the fourth S2- site, S2- is bonded in a bent 120 degrees geometry to one La3+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to four La3+ atoms.},

  doi          = {10.17188/1734024},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1734024

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