Materials Data on Sr2Sb2O7 by Materials Project

doi:10.17188/1207853

Title: Materials Data on Sr2Sb2O7 by Materials Project

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Abstract

Sr2Sb2O7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.53 Å) and four longer (2.86 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded to eight O2- atoms to form distorted SrO8 hexagonal bipyramids that share corners with two equivalent SrO8 hexagonal bipyramids, corners with two equivalent SbO6 octahedra, and edges with six SbO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Sr–O bond distances ranging from 2.40–2.89 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and edges with four equivalent SrO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 43–44°. There are four shorter (2.01 Å) and two longer (2.04 Å) Sb–O bond lengths. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SrO8 hexagonal bipyramids, corners with four equivalent SbO6 octahedra, and edgesmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-4103

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; Sr2Sb2O7; O-Sb-Sr

OSTI Identifier:: 1207853

DOI:: https://doi.org/10.17188/1207853

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                    The Materials Project. Materials Data on Sr2Sb2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207853.

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                    The Materials Project. Materials Data on Sr2Sb2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207853

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                    The Materials Project. 2020.  
"Materials Data on Sr2Sb2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207853.  https://www.osti.gov/servlets/purl/1207853. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1207853,

  title        = {Materials Data on Sr2Sb2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2Sb2O7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.53 Å) and four longer (2.86 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded to eight O2- atoms to form distorted SrO8 hexagonal bipyramids that share corners with two equivalent SrO8 hexagonal bipyramids, corners with two equivalent SbO6 octahedra, and edges with six SbO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Sr–O bond distances ranging from 2.40–2.89 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and edges with four equivalent SrO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 43–44°. There are four shorter (2.01 Å) and two longer (2.04 Å) Sb–O bond lengths. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SrO8 hexagonal bipyramids, corners with four equivalent SbO6 octahedra, and edges with two equivalent SrO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 43°. There are two shorter (1.96 Å) and four longer (2.06 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded to three Sr2+ and one Sb5+ atom to form a mixture of distorted corner and edge-sharing OSr3Sb tetrahedra.},

  doi          = {10.17188/1207853},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207853

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