Materials Data on Ag3I(NO3)2 by Materials Project

doi:10.17188/1281226

Title: Materials Data on Ag3I(NO3)2 by Materials Project

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Abstract

Ag3I(NO3)2 crystallizes in the orthorhombic P2_12_12_1 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 four O2- and one I1- atom. There are a spread of Ag–O bond distances ranging from 2.05–2.83 Å. The Ag–I bond length is 2.79 Å. In the second Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one O2- and one I1- atom. The Ag–O bond length is 2.09 Å. The Ag–I bond length is 2.81 Å. In the third Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one O2- and two equivalent I1- atoms. The Ag–O bond length is 2.34 Å. There are one shorter (2.98 Å) and one longer (3.03 Å) Ag–I bond lengths. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.24 Å) and two longer (1.29 Å) N–O bond length.more »« less

Publication Date:: 2020-07-14

Other Number(s):: mp-653562

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ag-I-N-O; Ag3I(NO3)2; crystal structure

OSTI Identifier:: 1281226

DOI:: https://doi.org/10.17188/1281226

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                    Materials Data on Ag3I(NO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281226.

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                    Materials Data on Ag3I(NO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281226

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                    2020.  
"Materials Data on Ag3I(NO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281226.  https://www.osti.gov/servlets/purl/1281226. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1281226,

  title        = {Materials Data on Ag3I(NO3)2 by Materials Project},

  
  abstractNote = {Ag3I(NO3)2 crystallizes in the orthorhombic P2_12_12_1 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 four O2- and one I1- atom. There are a spread of Ag–O bond distances ranging from 2.05–2.83 Å. The Ag–I bond length is 2.79 Å. In the second Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one O2- and one I1- atom. The Ag–O bond length is 2.09 Å. The Ag–I bond length is 2.81 Å. In the third Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one O2- and two equivalent I1- atoms. The Ag–O bond length is 2.34 Å. There are one shorter (2.98 Å) and one longer (3.03 Å) Ag–I bond lengths. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.24 Å) and two longer (1.29 Å) N–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Ag1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Ag1+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Ag1+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one N5+ atom. I1- is bonded in a 4-coordinate geometry to four Ag1+ atoms.},

  doi          = {10.17188/1281226},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1281226

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