Materials Data on GdAsO4 by Materials Project

doi:10.17188/1289179

Title: Materials Data on GdAsO4 by Materials Project

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Abstract

GdAsO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.38 Å) and four longer (2.47 Å) Gd–O bond lengths. As5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All As–O bond lengths are 1.73 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one As5+ atom.

Publication Date:: 2020-07-22

Other Number(s):: mp-753911

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; As-Gd-O; GdAsO4; crystal structure

OSTI Identifier:: 1289179

DOI:: https://doi.org/10.17188/1289179

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                    Materials Data on GdAsO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289179.

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                    Materials Data on GdAsO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289179

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                    2020.  
"Materials Data on GdAsO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289179.  https://www.osti.gov/servlets/purl/1289179. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1289179,

  title        = {Materials Data on GdAsO4 by Materials Project},

  
  abstractNote = {GdAsO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.38 Å) and four longer (2.47 Å) Gd–O bond lengths. As5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All As–O bond lengths are 1.73 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one As5+ atom.},

  doi          = {10.17188/1289179},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1289179

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Materials Data on GdAsO4 by Materials Project

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GdAsO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Gd3+ is bonded to six O2- atoms to form GdO6 octahedra that share corners with six equivalent AsO4 tetrahedra and edges with two equivalent GdO6 octahedra. There are two shorter (2.30 Å) and four longer (2.40 Å) Gd–O bond lengths. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with six equivalent GdO6 octahedra. The corner-sharing octahedra tilt angles range from 46–64°. There is two shorter (1.71 Å) and two longer (1.73 Å) As–O bond length. There are two inequivalent O2- sites. Inmore »« less
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Materials Data on GdAsO4 by Materials Project

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GdAsO4 is Zircon-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.38–2.57 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.72 Å) and one longer (1.73 Å) As–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Gd3+ and one As5+ atom. In the second O2- site, O2- is bonded in amore »« less
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Materials Data on GdAsO4 by Materials Project

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