Materials Data on CaGd2O4 by Materials Project

doi:10.17188/1288762

Title: Materials Data on CaGd2O4 by Materials Project

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Abstract

CaGd2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent O2- atoms to form CaO4 tetrahedra that share corners with twelve equivalent GdO6 octahedra. The corner-sharing octahedra tilt angles range from 57–60°. All Ca–O bond lengths are 2.32 Å. Gd3+ is bonded to six equivalent O2- atoms to form GdO6 octahedra that share corners with six equivalent CaO4 tetrahedra and edges with six equivalent GdO6 octahedra. There are two shorter (2.33 Å) and four longer (2.34 Å) Gd–O bond lengths. O2- is bonded to one Ca2+ and three equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing OCaGd3 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-752679

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; CaGd2O4; Ca-Gd-O

OSTI Identifier:: 1288762

DOI:: https://doi.org/10.17188/1288762

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                    The Materials Project. Materials Data on CaGd2O4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288762.

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                    The Materials Project. Materials Data on CaGd2O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288762

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                    The Materials Project. 2020.  
"Materials Data on CaGd2O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288762.  https://www.osti.gov/servlets/purl/1288762. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1288762,

  title        = {Materials Data on CaGd2O4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaGd2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent O2- atoms to form CaO4 tetrahedra that share corners with twelve equivalent GdO6 octahedra. The corner-sharing octahedra tilt angles range from 57–60°. All Ca–O bond lengths are 2.32 Å. Gd3+ is bonded to six equivalent O2- atoms to form GdO6 octahedra that share corners with six equivalent CaO4 tetrahedra and edges with six equivalent GdO6 octahedra. There are two shorter (2.33 Å) and four longer (2.34 Å) Gd–O bond lengths. O2- is bonded to one Ca2+ and three equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing OCaGd3 trigonal pyramids.},

  doi          = {10.17188/1288762},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1288762

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