Materials Data on Sr2ScSbO6 by Materials Project

doi:10.17188/1685949

Title: Materials Data on Sr2ScSbO6 by Materials Project

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Abstract

Sr2ScSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.18 Å. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 15–17°. All Sc–O bond lengths are 2.10 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 15–17°. All Sb–O bond lengths are 2.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Sc3+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Sc3+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Sc3+, and one Sb5+ atom.

Authors:: The Materials Project

Publication Date:: 2018-07-19

Other Number(s):: mp-1106218

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; Sr2ScSbO6; O-Sb-Sc-Sr

OSTI Identifier:: 1685949

DOI:: https://doi.org/10.17188/1685949

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                    The Materials Project. Materials Data on Sr2ScSbO6 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1685949.

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                    The Materials Project. Materials Data on Sr2ScSbO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685949

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                    The Materials Project. 2018.  
"Materials Data on Sr2ScSbO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685949.  https://www.osti.gov/servlets/purl/1685949. Pub date:Thu Jul 19 00:00:00 EDT 2018

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@article{osti_1685949,

  title        = {Materials Data on Sr2ScSbO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2ScSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.18 Å. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 15–17°. All Sc–O bond lengths are 2.10 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 15–17°. All Sb–O bond lengths are 2.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Sc3+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Sc3+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Sc3+, and one Sb5+ atom.},

  doi          = {10.17188/1685949},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1685949

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