Materials Data on Dy2Hf2O7 by Materials Project

doi:10.17188/1207133

Title: Materials Data on Dy2Hf2O7 by Materials Project

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Abstract

Dy2Hf2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.27 Å) and six longer (2.52 Å) Dy–O bond lengths. Hf4+ is bonded to six equivalent O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Hf–O bond lengths are 2.07 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Dy3+ atoms to form ODy4 tetrahedra that share corners with sixteen ODy4 tetrahedra and edges with six equivalent ODy2Hf2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing ODy2Hf2 tetrahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-3611

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; Dy2Hf2O7; Dy-Hf-O

OSTI Identifier:: 1207133

DOI:: https://doi.org/10.17188/1207133

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                    The Materials Project. Materials Data on Dy2Hf2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207133.

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                    The Materials Project. Materials Data on Dy2Hf2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207133

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                    The Materials Project. 2020.  
"Materials Data on Dy2Hf2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207133.  https://www.osti.gov/servlets/purl/1207133. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1207133,

  title        = {Materials Data on Dy2Hf2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy2Hf2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.27 Å) and six longer (2.52 Å) Dy–O bond lengths. Hf4+ is bonded to six equivalent O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Hf–O bond lengths are 2.07 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Dy3+ atoms to form ODy4 tetrahedra that share corners with sixteen ODy4 tetrahedra and edges with six equivalent ODy2Hf2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing ODy2Hf2 tetrahedra.},

  doi          = {10.17188/1207133},

  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/10.17188/1207133

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