Materials Data on CdAuO2 by Materials Project

doi:10.17188/1317154

Title: Materials Data on CdAuO2 by Materials Project

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Abstract

AuCdO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.05 Å) Au–O bond lengths. In the second Au2+ site, Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.05 Å. Cd2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cd–O bond distances ranging from 2.25–2.44 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Au2+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing OCd2Au2 trigonal pyramids. In the second O2- site, O2- is bonded to one Au2+ and three equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing OCd3Au trigonal pyramids.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-997036

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; CdAuO2; Au-Cd-O

OSTI Identifier:: 1317154

DOI:: https://doi.org/10.17188/1317154

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                    The Materials Project. Materials Data on CdAuO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317154.

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                    The Materials Project. Materials Data on CdAuO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317154

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                    The Materials Project. 2020.  
"Materials Data on CdAuO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317154.  https://www.osti.gov/servlets/purl/1317154. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1317154,

  title        = {Materials Data on CdAuO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AuCdO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.05 Å) Au–O bond lengths. In the second Au2+ site, Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.05 Å. Cd2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cd–O bond distances ranging from 2.25–2.44 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Au2+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing OCd2Au2 trigonal pyramids. In the second O2- site, O2- is bonded to one Au2+ and three equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing OCd3Au trigonal pyramids.},

  doi          = {10.17188/1317154},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1317154

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