Materials Data on La3SiAgSe7 by Materials Project

doi:10.17188/1280825

Title: Materials Data on La3SiAgSe7 by Materials Project

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Abstract

La3AgSiSe7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.06–3.27 Å. Ag1+ is bonded in a trigonal planar geometry to three equivalent Se2- atoms. All Ag–Se bond lengths are 2.58 Å. Si4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are one shorter (2.27 Å) and three longer (2.31 Å) Si–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent La3+ and one Si4+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent La3+ and one Ag1+ atom. In the third Se2- site, Se2- is bonded in a distorted tetrahedral geometry to three equivalent La3+ and one Si4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-6485

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; La3SiAgSe7; Ag-La-Se-Si

OSTI Identifier:: 1280825

DOI:: https://doi.org/10.17188/1280825

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                    The Materials Project. Materials Data on La3SiAgSe7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280825.

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                    The Materials Project. Materials Data on La3SiAgSe7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280825

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                    The Materials Project. 2020.  
"Materials Data on La3SiAgSe7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280825.  https://www.osti.gov/servlets/purl/1280825. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1280825,

  title        = {Materials Data on La3SiAgSe7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La3AgSiSe7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.06–3.27 Å. Ag1+ is bonded in a trigonal planar geometry to three equivalent Se2- atoms. All Ag–Se bond lengths are 2.58 Å. Si4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are one shorter (2.27 Å) and three longer (2.31 Å) Si–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent La3+ and one Si4+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent La3+ and one Ag1+ atom. In the third Se2- site, Se2- is bonded in a distorted tetrahedral geometry to three equivalent La3+ and one Si4+ atom.},

  doi          = {10.17188/1280825},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1280825

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