Materials Data on La2SiS5 by Materials Project

doi:10.17188/1270468

Title: Materials Data on La2SiS5 by Materials Project

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Abstract

La2SiS5 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 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.86–3.13 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of La–S bond distances ranging from 2.92–3.40 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.16 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the second S2- site, S2- is bonded to four La3+ atoms to form a mixture of distorted edge and corner-sharing SLa4 trigonal pyramids. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four La3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ and one Si4+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ andmore » one Si4+ atom.« less

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-558724

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; La2SiS5; La-S-Si

OSTI Identifier:: 1270468

DOI:: https://doi.org/10.17188/1270468

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                    The Materials Project. Materials Data on La2SiS5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270468.

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                    The Materials Project. Materials Data on La2SiS5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270468

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                    The Materials Project. 2020.  
"Materials Data on La2SiS5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270468.  https://www.osti.gov/servlets/purl/1270468. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1270468,

  title        = {Materials Data on La2SiS5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2SiS5 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 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.86–3.13 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of La–S bond distances ranging from 2.92–3.40 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.16 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the second S2- site, S2- is bonded to four La3+ atoms to form a mixture of distorted edge and corner-sharing SLa4 trigonal pyramids. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four La3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ and one Si4+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ and one Si4+ atom.},

  doi          = {10.17188/1270468},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1270468

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