Materials Data on Gd5AgS8 by Materials Project

doi:10.17188/1282953

Title: Materials Data on Gd5AgS8 by Materials Project

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Abstract

Gd5AgS8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.76–3.08 Å. In the second Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.77 Å) and four longer (2.99 Å) Gd–S bond lengths. Ag1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.78 Å) and four longer (3.12 Å) Ag–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Gd3+ and one Ag1+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to five Gd3+ and one Ag1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-08-03

Other Number(s):: mp-676156

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; Gd5AgS8; Ag-Gd-S

OSTI Identifier:: 1282953

DOI:: https://doi.org/10.17188/1282953

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                    The Materials Project. Materials Data on Gd5AgS8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282953.

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                    The Materials Project. Materials Data on Gd5AgS8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282953

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                    The Materials Project. 2020.  
"Materials Data on Gd5AgS8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282953.  https://www.osti.gov/servlets/purl/1282953. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1282953,

  title        = {Materials Data on Gd5AgS8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Gd5AgS8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.76–3.08 Å. In the second Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.77 Å) and four longer (2.99 Å) Gd–S bond lengths. Ag1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.78 Å) and four longer (3.12 Å) Ag–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Gd3+ and one Ag1+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to five Gd3+ and one Ag1+ atom.},

  doi          = {10.17188/1282953},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {8}

}

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DOI: https://doi.org/10.17188/1282953

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