Materials Data on Ag2SnO3 by Materials Project

doi:10.17188/1283549

Title: Materials Data on Ag2SnO3 by Materials Project

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Abstract

Ag2SnO3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are twelve inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six O2- atoms to form distorted AgO6 octahedra that share edges with six SnO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.40–2.62 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.13 Å) Ag–O bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.34–2.81 Å. In the fourth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.12 Å) Ag–O bond lengths. In the fifth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.11 Å. In the sixth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.12 Å) Ag–O bond lengths. In the seventh Ag1+ site,more »« less

Authors:: The Materials Project

Publication Date:: Mon Jun 02 00:00:00 EDT 2014

Other Number(s):: mp-680202

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; Ag2SnO3; Ag-O-Sn

OSTI Identifier:: 1283549

DOI:: https://doi.org/10.17188/1283549

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                    The Materials Project. Materials Data on Ag2SnO3 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1283549.

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                    The Materials Project. Materials Data on Ag2SnO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283549

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                    The Materials Project. 2014.  
"Materials Data on Ag2SnO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1283549.  https://www.osti.gov/servlets/purl/1283549. Pub date:Mon Jun 02 00:00:00 EDT 2014

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@article{osti_1283549,

  title        = {Materials Data on Ag2SnO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag2SnO3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are twelve inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six O2- atoms to form distorted AgO6 octahedra that share edges with six SnO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.40–2.62 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.13 Å) Ag–O bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.34–2.81 Å. In the fourth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.12 Å) Ag–O bond lengths. In the fifth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.11 Å. In the sixth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.12 Å) Ag–O bond lengths. In the seventh Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.12 Å) Ag–O bond lengths. In the eighth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.12 Å) Ag–O bond lengths. In the ninth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.12 Å) Ag–O bond lengths. In the tenth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.13 Å) Ag–O bond lengths. In the eleventh Ag1+ site, Ag1+ is bonded to six O2- atoms to form distorted AgO6 octahedra that share edges with six SnO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.39–2.63 Å. In the twelfth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.11 Å. There are six inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share edges with three AgO6 octahedra and edges with three SnO6 octahedra. There are five shorter (2.11 Å) and one longer (2.12 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share an edgeedge with one AgO6 octahedra and edges with three SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.10–2.12 Å. In the third Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share edges with two equivalent AgO6 octahedra and edges with three SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.10–2.12 Å. In the fourth Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share edges with two equivalent AgO6 octahedra and edges with three SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.10–2.12 Å. In the fifth Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share edges with three AgO6 octahedra and edges with three SnO6 octahedra. There are five shorter (2.11 Å) and one longer (2.12 Å) Sn–O bond lengths. In the sixth Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share an edgeedge with one AgO6 octahedra and edges with three SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.10–2.12 Å. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag1+ and two Sn4+ atoms to form a mixture of distorted edge and corner-sharing OAg2Sn2 trigonal pyramids. In the second O2- site, O2- is bonded to two Ag1+ and two Sn4+ atoms to form a mixture of distorted edge and corner-sharing OAg2Sn2 trigonal pyramids. In the third O2- site, O2- is bonded to two Ag1+ and two Sn4+ atoms to form a mixture of distorted edge and corner-sharing OAg2Sn2 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and two Sn4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and two Sn4+ atoms. In the sixth O2- site, O2- is bonded to two Ag1+ and two Sn4+ atoms to form a mixture of distorted edge and corner-sharing OAg2Sn2 trigonal pyramids. In the seventh O2- site, O2- is bonded to two Ag1+ and two Sn4+ atoms to form a mixture of distorted edge and corner-sharing OAg2Sn2 trigonal pyramids. In the eighth O2- site, O2- is bonded to two Ag1+ and two Sn4+ atoms to form a mixture of edge and corner-sharing OAg2Sn2 trigonal pyramids. In the ninth O2- site, O2- is bonded to two Ag1+ and two Sn4+ atoms to form a mixture of distorted edge and corner-sharing OAg2Sn2 trigonal pyramids. In the tenth O2- site, O2- is bonded to two Ag1+ and two Sn4+ atoms to form a mixture of distorted edge and corner-sharing OAg2Sn2 trigonal pyramids. In the eleventh O2- site, O2- is bonded to two Ag1+ and two Sn4+ atoms to form a mixture of edge and corner-sharing OAg2Sn2 trigonal pyramids. In the twelfth O2- site, O2- is bonded to two Ag1+ and two Sn4+ atoms to form a mixture of distorted edge and corner-sharing OAg2Sn2 trigonal pyramids. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and two Sn4+ atoms. In the fourteenth O2- site, O2- is bonded to two Ag1+ and two Sn4+ atoms to form corner-sharing OAg2Sn2 trigonal pyramids. In the fifteenth O2- site, O2- is bonded to two Ag1+ and two Sn4+ atoms to form a mixture of distorted edge and corner-sharing OAg2Sn2 trigonal pyramids. In the sixteenth O2- site, O2- is bonded to two Ag1+ and two Sn4+ atoms to form a mixture of distorted edge and corner-sharing OAg2Sn2 trigonal pyramids. In the seventeenth O2- site, O2- is bonded in a 4-coordinate geometry to two Ag1+ and two Sn4+ atoms. In the eighteenth O2- site, O2- is bonded to two Ag1+ and two Sn4+ atoms to form a mixture of distorted edge and corner-sharing OAg2Sn2 trigonal pyramids.},

  doi          = {10.17188/1283549},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jun 02 00:00:00 EDT 2014},

  month        = {Mon Jun 02 00:00:00 EDT 2014}

}

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DOI: https://doi.org/10.17188/1283549

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