Materials Data on SrCuO3 by Materials Project

doi:10.17188/1475708

Title: Materials Data on SrCuO3 by Materials Project

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Abstract

SrCuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All Sr–O bond lengths are 2.75 Å. Cu is bonded to six equivalent O atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.94 Å. O is bonded to four equivalent Sr and two equivalent Cu atoms to form a mixture of distorted face, edge, and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-1076711

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; SrCuO3; Cu-O-Sr

OSTI Identifier:: 1475708

DOI:: https://doi.org/10.17188/1475708

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                    The Materials Project. Materials Data on SrCuO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1475708.

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                    The Materials Project. Materials Data on SrCuO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1475708

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                    The Materials Project. 2020.  
"Materials Data on SrCuO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1475708.  https://www.osti.gov/servlets/purl/1475708. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1475708,

  title        = {Materials Data on SrCuO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrCuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All Sr–O bond lengths are 2.75 Å. Cu is bonded to six equivalent O atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.94 Å. O is bonded to four equivalent Sr and two equivalent Cu atoms to form a mixture of distorted face, edge, and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},

  doi          = {10.17188/1475708},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1475708

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