Materials Data on GdAsO4 by Materials Project

doi:10.17188/1289203

Title: Materials Data on GdAsO4 by Materials Project

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Abstract

GdAsO4 is Zircon-like structured and crystallizes in the monoclinic P2/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 2.41–2.44 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. All As–O bond lengths are 1.74 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one As5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-753976

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; GdAsO4; As-Gd-O

OSTI Identifier:: 1289203

DOI:: https://doi.org/10.17188/1289203

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                    The Materials Project. Materials Data on GdAsO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289203.

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                    The Materials Project. Materials Data on GdAsO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289203

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                    The Materials Project. 2020.  
"Materials Data on GdAsO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289203.  https://www.osti.gov/servlets/purl/1289203. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1289203,

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

  author       = {The Materials Project},

  abstractNote = {GdAsO4 is Zircon-like structured and crystallizes in the monoclinic P2/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 2.41–2.44 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. All As–O bond lengths are 1.74 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one As5+ atom.},

  doi          = {10.17188/1289203},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1289203

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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
Materials Data on GdAsO4 by Materials Project

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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.
Materials Data on GdAsO4 by Materials Project

Dataset The Materials Project

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
Materials Data on GdAsO4 by Materials Project

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GdAsO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.36 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 1.72 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one As5+ atom.
Materials Data on GdAsO4 by Materials Project

Dataset The Materials Project

GdAsO4 is Zircon-like structured and crystallizes in the monoclinic P2_1/m 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 2.32–2.64 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.71 Å) and two longer (1.72 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-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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