Materials Data on Pr3AgGeS7 by Materials Project

doi:10.17188/1309623

Title: Materials Data on Pr3AgGeS7 by Materials Project

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Abstract

Pr3AgGeS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pr–S bond distances ranging from 2.90–3.17 Å. Ag1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Ag–S bond lengths are 2.46 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.21 Å) and three longer (2.25 Å) Ge–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent Pr3+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Pr3+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Pr3+ and one Ag1+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-862792

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; Pr3AgGeS7; Ag-Ge-Pr-S

OSTI Identifier:: 1309623

DOI:: https://doi.org/10.17188/1309623

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                    The Materials Project. Materials Data on Pr3AgGeS7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1309623.

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                    The Materials Project. Materials Data on Pr3AgGeS7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1309623

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                    The Materials Project. 2020.  
"Materials Data on Pr3AgGeS7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1309623.  https://www.osti.gov/servlets/purl/1309623. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1309623,

  title        = {Materials Data on Pr3AgGeS7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr3AgGeS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pr–S bond distances ranging from 2.90–3.17 Å. Ag1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Ag–S bond lengths are 2.46 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.21 Å) and three longer (2.25 Å) Ge–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent Pr3+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Pr3+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Pr3+ and one Ag1+ atom.},

  doi          = {10.17188/1309623},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1309623

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