Materials Data on SbOF by Materials Project

doi:10.17188/1289088

Title: Materials Data on SbOF by Materials Project

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Abstract

SbOF crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two SbOF ribbons oriented in the (1, 0, 0) direction. Sb3+ is bonded to three equivalent O2- and two equivalent F1- atoms to form distorted edge-sharing SbO3F2 square pyramids. There are one shorter (2.06 Å) and two longer (2.21 Å) Sb–O bond lengths. Both Sb–F bond lengths are 2.32 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sb3+ atoms. F1- is bonded in a distorted L-shaped geometry to two equivalent Sb3+ atoms.

Publication Date:: 2020-07-21

Other Number(s):: mp-753656

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; crystal structure; F-O-Sb; SbOF

OSTI Identifier:: 1289088

DOI:: https://doi.org/10.17188/1289088

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                    Materials Data on SbOF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289088.

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                    Materials Data on SbOF by Materials Project.  United States.  doi:https://doi.org/10.17188/1289088

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                    2020.  
"Materials Data on SbOF by Materials Project".  United States.  doi:https://doi.org/10.17188/1289088.  https://www.osti.gov/servlets/purl/1289088. Pub date:Tue Jul 21 20:00:00 EDT 2020

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@article{osti_1289088,

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

  
  abstractNote = {SbOF crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two SbOF ribbons oriented in the (1, 0, 0) direction. Sb3+ is bonded to three equivalent O2- and two equivalent F1- atoms to form distorted edge-sharing SbO3F2 square pyramids. There are one shorter (2.06 Å) and two longer (2.21 Å) Sb–O bond lengths. Both Sb–F bond lengths are 2.32 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sb3+ atoms. F1- is bonded in a distorted L-shaped geometry to two equivalent Sb3+ atoms.},

  doi          = {10.17188/1289088},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1289088

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Materials Data on SbOF by Materials Project

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SbOF crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sb3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Sb–O bond lengths are 2.30 Å. All Sb–F bond lengths are 2.55 Å. O2- is bonded to four equivalent Sb3+ atoms to form distorted OSb4 tetrahedra that share corners with four equivalent OSb4 tetrahedra, corners with twelve equivalent FSb4 tetrahedra, edges with two equivalent FSb4 tetrahedra, and edges with four equivalent OSb4 tetrahedra. F1- is bonded to four equivalent Sb3+ atoms to form distorted FSb4 tetrahedra that share corners withmore »« less
Materials Data on SbOF by Materials Project

Dataset

SbOF crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two SbOF ribbons oriented in the (1, 0, 0) direction. Sb3+ is bonded in a distorted rectangular see-saw-like geometry to three equivalent O2- and one F1- atom. There are one shorter (2.03 Å) and two longer (2.19 Å) Sb–O bond lengths. The Sb–F bond length is 2.00 Å. O2- is bonded in a 3-coordinate geometry to three equivalent Sb3+ atoms. F1- is bonded in a single-bond geometry to one Sb3+ atom.
Materials Data on SbOF by Materials Project

Dataset

SbOF crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two SbOF sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to three O2- and one F1- atom. There are two shorter (2.04 Å) and one longer (2.33 Å) Sb–O bond lengths. The Sb–F bond length is 2.07 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to three O2- and one F1- atom. There are a spread of Sb–O bond distancesmore »« less
Materials Data on SbOF by Materials Project

Dataset

SbOF crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two SbOF sheets oriented in the (0, 0, 1) direction. Sb3+ is bonded to three equivalent O2- and two equivalent F1- atoms to form a mixture of distorted edge and corner-sharing SbO3F2 square pyramids. There are one shorter (2.01 Å) and two longer (2.24 Å) Sb–O bond lengths. Both Sb–F bond lengths are 2.26 Å. O2- is bonded in a distorted trigonal planar geometry to three equivalent Sb3+ atoms. F1- is bonded in a water-like geometry to two equivalent Sb3+ atoms.
Materials Data on SbOF by Materials Project

Dataset

SbOF crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two SbOF sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to two equivalent O2- and one F1- atom. There are one shorter (1.97 Å) and one longer (2.03 Å) Sb–O bond lengths. The Sb–F bond length is 2.01 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to two equivalent O2- and two F1- atoms. There is one shorter (1.98 Å)more »« less

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