Materials Data on Ag4Te(ClO3)2 by Materials Project

doi:10.17188/1287895

Title: Materials Data on Ag4Te(ClO3)2 by Materials Project

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Abstract

(Ag2O3Cl)2Te crystallizes in the cubic P2_13 space group. The structure is three-dimensional and consists of four tellurium molecules and one Ag2O3Cl framework. In the Ag2O3Cl framework, there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to three equivalent O2- and one Cl1- atom. All Ag–O bond lengths are 2.73 Å. The Ag–Cl bond length is 2.83 Å. In the second Ag2+ site, Ag2+ is bonded in a water-like geometry to two O2- atoms. There are one shorter (2.38 Å) and one longer (2.55 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Ag2+ and one Cl1- atom. The O–Cl bond length is 1.52 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ag2+ and one Cl1- atom. The O–Cl bond length is 1.50 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Ag2+ and three equivalent O2- atoms. In the second Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three equivalentmore » O2- atoms.« less

Authors:: The Materials Project

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

Other Number(s):: mp-738646

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; Ag4Te(ClO3)2; Ag-Cl-O-Te

OSTI Identifier:: 1287895

DOI:: https://doi.org/10.17188/1287895

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                    The Materials Project. Materials Data on Ag4Te(ClO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287895.

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                    The Materials Project. Materials Data on Ag4Te(ClO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287895

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                    The Materials Project. 2020.  
"Materials Data on Ag4Te(ClO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287895.  https://www.osti.gov/servlets/purl/1287895. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1287895,

  title        = {Materials Data on Ag4Te(ClO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Ag2O3Cl)2Te crystallizes in the cubic P2_13 space group. The structure is three-dimensional and consists of four tellurium molecules and one Ag2O3Cl framework. In the Ag2O3Cl framework, there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to three equivalent O2- and one Cl1- atom. All Ag–O bond lengths are 2.73 Å. The Ag–Cl bond length is 2.83 Å. In the second Ag2+ site, Ag2+ is bonded in a water-like geometry to two O2- atoms. There are one shorter (2.38 Å) and one longer (2.55 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Ag2+ and one Cl1- atom. The O–Cl bond length is 1.52 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ag2+ and one Cl1- atom. The O–Cl bond length is 1.50 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Ag2+ and three equivalent O2- atoms. In the second Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms.},

  doi          = {10.17188/1287895},

  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/10.17188/1287895

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