Materials Data on SmNiO3 by Materials Project

doi:10.17188/1475839

Title: Materials Data on SmNiO3 by Materials Project

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Abstract

SmNiO3 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 NiO6 octahedra. All Sm–O bond lengths are 2.68 Å. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent SmO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.90 Å. O2- is bonded in a distorted linear geometry to four equivalent Sm3+ and two equivalent Ni3+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-1099668

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; SmNiO3; Ni-O-Sm

OSTI Identifier:: 1475839

DOI:: https://doi.org/10.17188/1475839

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                    The Materials Project. Materials Data on SmNiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1475839.

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                    The Materials Project. Materials Data on SmNiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1475839

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                    The Materials Project. 2020.  
"Materials Data on SmNiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1475839.  https://www.osti.gov/servlets/purl/1475839. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1475839,

  title        = {Materials Data on SmNiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmNiO3 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 NiO6 octahedra. All Sm–O bond lengths are 2.68 Å. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent SmO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.90 Å. O2- is bonded in a distorted linear geometry to four equivalent Sm3+ and two equivalent Ni3+ atoms.},

  doi          = {10.17188/1475839},

  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/10.17188/1475839

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