Materials Data on SmBO3 by Materials Project

doi:10.17188/1672231

Title: Materials Data on SmBO3 by Materials Project

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Abstract

SmBO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.85 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.40 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sm3+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sm3+ and one B3+ atom.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1173486

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; SmBO3; B-O-Sm

OSTI Identifier:: 1672231

DOI:: https://doi.org/10.17188/1672231

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                    The Materials Project. Materials Data on SmBO3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1672231.

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                    The Materials Project. Materials Data on SmBO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672231

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                    The Materials Project. 2019.  
"Materials Data on SmBO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672231.  https://www.osti.gov/servlets/purl/1672231. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1672231,

  title        = {Materials Data on SmBO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmBO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.85 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.40 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sm3+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sm3+ and one B3+ atom.},

  doi          = {10.17188/1672231},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1672231

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