Materials Data on Dy3GaO6 by Materials Project

doi:10.17188/1205436

Title: Materials Data on Dy3GaO6 by Materials Project

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Abstract

Dy3GaO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share a cornercorner with one GaO4 tetrahedra, edges with two equivalent DyO7 pentagonal bipyramids, and an edgeedge with one GaO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.28–2.45 Å. In the second Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.21–2.59 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share a cornercorner with one DyO7 pentagonal bipyramid and an edgeedge with one DyO7 pentagonal bipyramid. There is one shorter (1.86 Å) and three longer (1.89 Å) Ga–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Dy3+ and one Ga3+ atom to form distorted ODy3Ga tetrahedra that share corners with eight equivalent ODy4 tetrahedra, corners with four equivalent ODy3Ga trigonal pyramids, and edges with two equivalent ODy3Ga trigonal pyramids. In the second O2- site, O2- is bonded in a 1-coordinatemore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-31113

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; Dy3GaO6; Dy-Ga-O

OSTI Identifier:: 1205436

DOI:: https://doi.org/10.17188/1205436

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                    The Materials Project. Materials Data on Dy3GaO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205436.

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                    The Materials Project. Materials Data on Dy3GaO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205436

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                    The Materials Project. 2020.  
"Materials Data on Dy3GaO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205436.  https://www.osti.gov/servlets/purl/1205436. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1205436,

  title        = {Materials Data on Dy3GaO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy3GaO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share a cornercorner with one GaO4 tetrahedra, edges with two equivalent DyO7 pentagonal bipyramids, and an edgeedge with one GaO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.28–2.45 Å. In the second Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.21–2.59 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share a cornercorner with one DyO7 pentagonal bipyramid and an edgeedge with one DyO7 pentagonal bipyramid. There is one shorter (1.86 Å) and three longer (1.89 Å) Ga–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Dy3+ and one Ga3+ atom to form distorted ODy3Ga tetrahedra that share corners with eight equivalent ODy4 tetrahedra, corners with four equivalent ODy3Ga trigonal pyramids, and edges with two equivalent ODy3Ga trigonal pyramids. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Dy3+ and one Ga3+ atom. In the third O2- site, O2- is bonded to four Dy3+ atoms to form ODy4 tetrahedra that share corners with six ODy3Ga tetrahedra, corners with six equivalent ODy3Ga trigonal pyramids, edges with three equivalent ODy4 tetrahedra, and an edgeedge with one ODy3Ga trigonal pyramid. In the fourth O2- site, O2- is bonded to three Dy3+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing ODy3Ga trigonal pyramids.},

  doi          = {10.17188/1205436},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205436

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