Materials Data on SiAg8(SO2)2 by Materials Project

doi:10.17188/1271023

Title: Materials Data on SiAg8(SO2)2 by Materials Project

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Abstract

Ag8Si(SO2)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one S2- and two equivalent O2- atoms. The Ag–S bond length is 2.54 Å. Both Ag–O bond lengths are 3.06 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to one S2- and two equivalent O2- atoms. The Ag–S bond length is 2.34 Å. Both Ag–O bond lengths are 2.25 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent O2- atoms. Both Ag–S bond lengths are 2.71 Å. Both Ag–O bond lengths are 2.68 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent SAg6O2 hexagonal bipyramids. All Si–O bond lengths are 1.66 Å. S2- is bonded to six Ag1+ and two equivalent O2- atoms to form distorted SAg6O2 hexagonal bipyramids that share corners with four equivalent SAg6O2 hexagonal bipyramids and corners with two equivalent SiO4 tetrahedra. Both S–O bond lengths are 2.56 Å. O2- is bonded in a 1-coordinate geometry to four Ag1+, onemore » Si4+, and one S2- atom.« less

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-559745

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; SiAg8(SO2)2; Ag-O-S-Si

OSTI Identifier:: 1271023

DOI:: https://doi.org/10.17188/1271023

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                    The Materials Project. Materials Data on SiAg8(SO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271023.

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                    The Materials Project. Materials Data on SiAg8(SO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271023

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                    The Materials Project. 2020.  
"Materials Data on SiAg8(SO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271023.  https://www.osti.gov/servlets/purl/1271023. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1271023,

  title        = {Materials Data on SiAg8(SO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag8Si(SO2)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one S2- and two equivalent O2- atoms. The Ag–S bond length is 2.54 Å. Both Ag–O bond lengths are 3.06 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to one S2- and two equivalent O2- atoms. The Ag–S bond length is 2.34 Å. Both Ag–O bond lengths are 2.25 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent O2- atoms. Both Ag–S bond lengths are 2.71 Å. Both Ag–O bond lengths are 2.68 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent SAg6O2 hexagonal bipyramids. All Si–O bond lengths are 1.66 Å. S2- is bonded to six Ag1+ and two equivalent O2- atoms to form distorted SAg6O2 hexagonal bipyramids that share corners with four equivalent SAg6O2 hexagonal bipyramids and corners with two equivalent SiO4 tetrahedra. Both S–O bond lengths are 2.56 Å. O2- is bonded in a 1-coordinate geometry to four Ag1+, one Si4+, and one S2- atom.},

  doi          = {10.17188/1271023},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1271023

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