Materials Data on SmCuO3 by Materials Project

doi:10.17188/1475943

Title: Materials Data on SmCuO3 by Materials Project

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Abstract

SmCuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm3+ is bonded to twelve equivalent O2- atoms to form SmO12 cuboctahedra that share corners with twelve equivalent SmO12 cuboctahedra, faces with six equivalent SmO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All Sm–O bond lengths are 2.69 Å. Cu3+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent SmO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.90 Å. O2- is bonded in a distorted linear geometry to four equivalent Sm3+ and two equivalent Cu3+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-1076706

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; SmCuO3; Cu-O-Sm

OSTI Identifier:: 1475943

DOI:: https://doi.org/10.17188/1475943

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                    The Materials Project. Materials Data on SmCuO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1475943.

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                    The Materials Project. Materials Data on SmCuO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1475943

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                    The Materials Project. 2020.  
"Materials Data on SmCuO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1475943.  https://www.osti.gov/servlets/purl/1475943. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1475943,

  title        = {Materials Data on SmCuO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmCuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm3+ is bonded to twelve equivalent O2- atoms to form SmO12 cuboctahedra that share corners with twelve equivalent SmO12 cuboctahedra, faces with six equivalent SmO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All Sm–O bond lengths are 2.69 Å. Cu3+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent SmO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.90 Å. O2- is bonded in a distorted linear geometry to four equivalent Sm3+ and two equivalent Cu3+ atoms.},

  doi          = {10.17188/1475943},

  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/10.17188/1475943

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