Materials Data on SrAuO2 by Materials Project

doi:10.17188/1317178

Title: Materials Data on SrAuO2 by Materials Project

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Abstract

SrAuO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SrO6 octahedra. The corner-sharing octahedra tilt angles range from 19–36°. There are four shorter (2.60 Å) and two longer (2.62 Å) Sr–O bond lengths. There are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.05 Å. In the second Au2+ site, Au2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) Au–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+ and one Au2+ atom. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Sr2+ and two Au2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-997094

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; SrAuO2; Au-O-Sr

OSTI Identifier:: 1317178

DOI:: https://doi.org/10.17188/1317178

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                    The Materials Project. Materials Data on SrAuO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317178.

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                    The Materials Project. Materials Data on SrAuO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317178

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                    The Materials Project. 2020.  
"Materials Data on SrAuO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317178.  https://www.osti.gov/servlets/purl/1317178. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1317178,

  title        = {Materials Data on SrAuO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrAuO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SrO6 octahedra. The corner-sharing octahedra tilt angles range from 19–36°. There are four shorter (2.60 Å) and two longer (2.62 Å) Sr–O bond lengths. There are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.05 Å. In the second Au2+ site, Au2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) Au–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+ and one Au2+ atom. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Sr2+ and two Au2+ atoms.},

  doi          = {10.17188/1317178},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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