Materials Data on Ag8GeTe6 by Materials Project

doi:10.17188/1283092

Title: Materials Data on Ag8GeTe6 by Materials Project

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Abstract

Ag8GeTe6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to two Ag1+ and four Te2- atoms. There are one shorter (2.85 Å) and one longer (2.96 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.77–3.07 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to one Ag1+ and four Te2- atoms. The Ag–Ag bond length is 3.18 Å. There are a spread of Ag–Te bond distances ranging from 2.82–3.20 Å. In the third Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to three Ag1+ and four Te2- atoms. There are one shorter (2.78 Å) and one longer (3.18 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.86–3.02 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three Ag1+ and four Te2- atoms. There are one shorter (2.90 Å) and one longer (3.12 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.80–3.16 Å. In the fifth Ag1+ site, Ag1+ is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-676555

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; Ag8GeTe6; Ag-Ge-Te

OSTI Identifier:: 1283092

DOI:: https://doi.org/10.17188/1283092

Citation Formats


                    The Materials Project. Materials Data on Ag8GeTe6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1283092.

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                    The Materials Project. Materials Data on Ag8GeTe6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283092

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                    The Materials Project. 2020.  
"Materials Data on Ag8GeTe6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1283092.  https://www.osti.gov/servlets/purl/1283092. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1283092,

  title        = {Materials Data on Ag8GeTe6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag8GeTe6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to two Ag1+ and four Te2- atoms. There are one shorter (2.85 Å) and one longer (2.96 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.77–3.07 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to one Ag1+ and four Te2- atoms. The Ag–Ag bond length is 3.18 Å. There are a spread of Ag–Te bond distances ranging from 2.82–3.20 Å. In the third Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to three Ag1+ and four Te2- atoms. There are one shorter (2.78 Å) and one longer (3.18 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.86–3.02 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three Ag1+ and four Te2- atoms. There are one shorter (2.90 Å) and one longer (3.12 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.80–3.16 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four Te2- atoms. There are one shorter (2.81 Å) and one longer (3.06 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.83–3.11 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to two Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.81 Å. There are a spread of Ag–Te bond distances ranging from 2.79–3.37 Å. In the seventh Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.89 Å. There are a spread of Ag–Te bond distances ranging from 2.90–3.06 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three Ag1+ and four Te2- atoms. There are a spread of Ag–Te bond distances ranging from 2.75–3.32 Å. Ge4+ is bonded in a tetrahedral geometry to four Te2- atoms. There are a spread of Ge–Te bond distances ranging from 2.58–2.73 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted hexagonal planar geometry to six Ag1+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to two Ag1+ and one Ge4+ atom. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to four Ag1+ and one Ge4+ atom. In the fourth Te2- site, Te2- is bonded in a 6-coordinate geometry to five Ag1+ and one Ge4+ atom. In the fifth Te2- site, Te2- is bonded in a 8-coordinate geometry to seven Ag1+ and one Ge4+ atom. In the sixth Te2- site, Te2- is bonded in a 8-coordinate geometry to eight Ag1+ atoms.},

  doi          = {10.17188/1283092},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1283092

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