Materials Data on AgIO3 by Materials Project

doi:10.17188/1308178

Title: Materials Data on AgIO3 by Materials Project

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Abstract

AgIO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ag1+ is bonded to six O2- atoms to form corner-sharing AgO6 octahedra. The corner-sharing octahedra tilt angles range from 54–69°. There are a spread of Ag–O bond distances ranging from 2.46–2.56 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ag1+ and one I5+ atom. The O–I bond length is 1.85 Å. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag1+ and one I5+ atom. The O–I bond length is 1.84 Å. I5+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-849271

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; AgIO3; Ag-I-O

OSTI Identifier:: 1308178

DOI:: https://doi.org/10.17188/1308178

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                    The Materials Project. Materials Data on AgIO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1308178.

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                    The Materials Project. Materials Data on AgIO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1308178

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                    The Materials Project. 2020.  
"Materials Data on AgIO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1308178.  https://www.osti.gov/servlets/purl/1308178. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1308178,

  title        = {Materials Data on AgIO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgIO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ag1+ is bonded to six O2- atoms to form corner-sharing AgO6 octahedra. The corner-sharing octahedra tilt angles range from 54–69°. There are a spread of Ag–O bond distances ranging from 2.46–2.56 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ag1+ and one I5+ atom. The O–I bond length is 1.85 Å. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag1+ and one I5+ atom. The O–I bond length is 1.84 Å. I5+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms.},

  doi          = {10.17188/1308178},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1308178

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