Materials Data on Sr3Ir2O7 by Materials Project

doi:10.17188/1677979

Title: Materials Data on Sr3Ir2O7 by Materials Project

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Abstract

Sr3Ir2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.98 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.46 Å) and two longer (2.62 Å) Sr–O bond lengths. Ir4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ir–O bond distances ranging from 1.89–1.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+ and two equivalent Ir4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one Ir4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ir4+ atom.

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1173235

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; Sr3Ir2O7; Ir-O-Sr

OSTI Identifier:: 1677979

DOI:: https://doi.org/10.17188/1677979

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                    The Materials Project. Materials Data on Sr3Ir2O7 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1677979.

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                    The Materials Project. Materials Data on Sr3Ir2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677979

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                    The Materials Project. 2019.  
"Materials Data on Sr3Ir2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677979.  https://www.osti.gov/servlets/purl/1677979. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1677979,

  title        = {Materials Data on Sr3Ir2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3Ir2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.98 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.46 Å) and two longer (2.62 Å) Sr–O bond lengths. Ir4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ir–O bond distances ranging from 1.89–1.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+ and two equivalent Ir4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one Ir4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ir4+ atom.},

  doi          = {10.17188/1677979},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1677979

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