Materials Data on Sm2O3 by Materials Project

doi:10.17188/1197171

Title: Materials Data on Sm2O3 by Materials Project

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Abstract

Sm2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing SmO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Sm–O bond lengths are 2.37 Å. In the second Sm3+ site, Sm3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing SmO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are four shorter (2.34 Å) and two longer (2.43 Å) Sm–O bond lengths. O2- is bonded to four Sm3+ atoms to form a mixture of distorted edge and corner-sharing OSm4 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-218

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; Sm2O3; O-Sm

OSTI Identifier:: 1197171

DOI:: https://doi.org/10.17188/1197171

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                    The Materials Project. Materials Data on Sm2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197171.

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                    The Materials Project. Materials Data on Sm2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197171

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                    The Materials Project. 2020.  
"Materials Data on Sm2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197171.  https://www.osti.gov/servlets/purl/1197171. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1197171,

  title        = {Materials Data on Sm2O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing SmO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Sm–O bond lengths are 2.37 Å. In the second Sm3+ site, Sm3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing SmO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are four shorter (2.34 Å) and two longer (2.43 Å) Sm–O bond lengths. O2- is bonded to four Sm3+ atoms to form a mixture of distorted edge and corner-sharing OSm4 trigonal pyramids.},

  doi          = {10.17188/1197171},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197171

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