Materials Data on LaSmO3 by Materials Project

doi:10.17188/1305576

Title: Materials Data on LaSmO3 by Materials Project

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Abstract

SmLaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Sm3+ is bonded to six O2- atoms to form corner-sharing SmO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of Sm–O bond distances ranging from 2.32–2.40 Å. La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Sm2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and two equivalent La3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Sm2 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-778450

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; LaSmO3; La-O-Sm

OSTI Identifier:: 1305576

DOI:: https://doi.org/10.17188/1305576

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                    The Materials Project. Materials Data on LaSmO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1305576.

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                    The Materials Project. Materials Data on LaSmO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1305576

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                    The Materials Project. 2020.  
"Materials Data on LaSmO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1305576.  https://www.osti.gov/servlets/purl/1305576. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1305576,

  title        = {Materials Data on LaSmO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmLaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Sm3+ is bonded to six O2- atoms to form corner-sharing SmO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of Sm–O bond distances ranging from 2.32–2.40 Å. La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Sm2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and two equivalent La3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Sm2 trigonal pyramids.},

  doi          = {10.17188/1305576},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1305576

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