Materials Data on Gd4Au2O9 by Materials Project

doi:10.17188/1278182

Title: Materials Data on Gd4Au2O9 by Materials Project

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Abstract

Gd4Au2O9 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing GdO7 pentagonal bipyramids. There are a spread of Gd–O bond distances ranging from 2.31–2.53 Å. In the second Gd3+ site, Gd3+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing GdO7 pentagonal bipyramids. There are a spread of Gd–O bond distances ranging from 2.32–2.58 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Au–O bond distances ranging from 2.01–2.07 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra. In the second O2- site, O2- is bonded to three Gd3+ and one Au3+ atom to form distorted OGd3Au trigonal pyramids that share corners with seven OGd4 tetrahedra, corners with eight OGd3Au trigonal pyramids, an edgeedge with one OGd3Au tetrahedra, and edges with two OGd3Au trigonal pyramids. In the third O2- site, O2- is bonded to three Gd3+more »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-623092

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; Gd4Au2O9; Au-Gd-O

OSTI Identifier:: 1278182

DOI:: https://doi.org/10.17188/1278182

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                    The Materials Project. Materials Data on Gd4Au2O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278182.

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                    The Materials Project. Materials Data on Gd4Au2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278182

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                    The Materials Project. 2020.  
"Materials Data on Gd4Au2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278182.  https://www.osti.gov/servlets/purl/1278182. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1278182,

  title        = {Materials Data on Gd4Au2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Gd4Au2O9 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing GdO7 pentagonal bipyramids. There are a spread of Gd–O bond distances ranging from 2.31–2.53 Å. In the second Gd3+ site, Gd3+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing GdO7 pentagonal bipyramids. There are a spread of Gd–O bond distances ranging from 2.32–2.58 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Au–O bond distances ranging from 2.01–2.07 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra. In the second O2- site, O2- is bonded to three Gd3+ and one Au3+ atom to form distorted OGd3Au trigonal pyramids that share corners with seven OGd4 tetrahedra, corners with eight OGd3Au trigonal pyramids, an edgeedge with one OGd3Au tetrahedra, and edges with two OGd3Au trigonal pyramids. In the third O2- site, O2- is bonded to three Gd3+ and one Au3+ atom to form distorted OGd3Au tetrahedra that share corners with three OGd4 tetrahedra, corners with ten OGd3Au trigonal pyramids, an edgeedge with one OGd4 tetrahedra, and edges with three OGd3Au trigonal pyramids. In the fourth O2- site, O2- is bonded to three Gd3+ and one Au3+ atom to form a mixture of distorted edge and corner-sharing OGd3Au trigonal pyramids. In the fifth O2- site, O2- is bonded to three Gd3+ and one Au3+ atom to form distorted OGd3Au trigonal pyramids that share corners with six OGd4 tetrahedra, corners with nine OGd3Au trigonal pyramids, an edgeedge with one OGd3Au tetrahedra, and edges with two OGd3Au trigonal pyramids.},

  doi          = {10.17188/1278182},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1278182

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