Materials Data on Ca(AuO2)2 by Materials Project

doi:10.17188/1203035

Title: Materials Data on Ca(AuO2)2 by Materials Project

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Abstract

Ca(AuO2)2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.48 Å) and four longer (2.59 Å) Ca–O bond lengths. Au3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.04 Å. O2- is bonded to two equivalent Ca2+ and two equivalent Au3+ atoms to form a mixture of edge and corner-sharing OCa2Au2 tetrahedra.

Publication Date:: 2020-07-15

Other Number(s):: mp-2898

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; Au-Ca-O; Ca(AuO2)2; crystal structure

OSTI Identifier:: 1203035

DOI:: https://doi.org/10.17188/1203035

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                    Materials Data on Ca(AuO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203035.

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                    Materials Data on Ca(AuO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203035

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                    2020.  
"Materials Data on Ca(AuO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203035.  https://www.osti.gov/servlets/purl/1203035. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1203035,

  title        = {Materials Data on Ca(AuO2)2 by Materials Project},

  
  abstractNote = {Ca(AuO2)2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.48 Å) and four longer (2.59 Å) Ca–O bond lengths. Au3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.04 Å. O2- is bonded to two equivalent Ca2+ and two equivalent Au3+ atoms to form a mixture of edge and corner-sharing OCa2Au2 tetrahedra.},

  doi          = {10.17188/1203035},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1203035

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