Materials Data on SrLaNbZnO6 by Materials Project

doi:10.17188/1207944

Title: Materials Data on SrLaNbZnO6 by Materials Project

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Abstract

LaSrZnNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, faces with four equivalent NbO6 octahedra, and faces with four equivalent ZnO6 octahedra. All Sr–O bond lengths are 2.86 Å. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent NbO6 octahedra, and faces with four equivalent ZnO6 octahedra. All La–O bond lengths are 2.86 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent ZnO6 octahedra, faces with four equivalent SrO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 1.99 Å. Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent NbO6 octahedra, faces with four equivalent SrO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–O bond lengthsmore »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-41918

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; SrLaNbZnO6; La-Nb-O-Sr-Zn

OSTI Identifier:: 1207944

DOI:: https://doi.org/10.17188/1207944

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                    The Materials Project. Materials Data on SrLaNbZnO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207944.

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                    The Materials Project. Materials Data on SrLaNbZnO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207944

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                    The Materials Project. 2020.  
"Materials Data on SrLaNbZnO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207944.  https://www.osti.gov/servlets/purl/1207944. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1207944,

  title        = {Materials Data on SrLaNbZnO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaSrZnNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, faces with four equivalent NbO6 octahedra, and faces with four equivalent ZnO6 octahedra. All Sr–O bond lengths are 2.86 Å. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent NbO6 octahedra, and faces with four equivalent ZnO6 octahedra. All La–O bond lengths are 2.86 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent ZnO6 octahedra, faces with four equivalent SrO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 1.99 Å. Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent NbO6 octahedra, faces with four equivalent SrO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–O bond lengths are 2.05 Å. O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent La3+, one Nb5+, and one Zn2+ atom.},

  doi          = {10.17188/1207944},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1207944

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