Materials Data on SbOF by Materials Project

doi:10.17188/1290586

Title: Materials Data on SbOF by Materials Project

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Abstract

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.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-756654

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; SbOF; F-O-Sb

OSTI Identifier:: 1290586

DOI:: https://doi.org/10.17188/1290586

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                    The Materials Project. Materials Data on SbOF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290586.

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                    The Materials Project. Materials Data on SbOF by Materials Project.  United States.  doi:https://doi.org/10.17188/1290586

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                    The Materials Project. 2020.  
"Materials Data on SbOF by Materials Project".  United States.  doi:https://doi.org/10.17188/1290586.  https://www.osti.gov/servlets/purl/1290586. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1290586,

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

  author       = {The Materials Project},

  abstractNote = {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.},

  doi          = {10.17188/1290586},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1290586

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Materials Data on SbOF by Materials Project

Dataset The Materials Project

SbOF crystallizes in the orthorhombic Pna2_1 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 3-coordinate geometry to two equivalent O2- and one F1- atom. There are one shorter (2.00 Å) and one longer (2.02 Å) Sb–O bond lengths. The Sb–F bond length is 2.00 Å. O2- is bonded in a bent 120 degrees geometry to two equivalent Sb3+ atoms. F1- is bonded in a single-bond geometry to one Sb3+ atom.
Materials Data on SbOF by Materials Project

Dataset The Materials Project

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.
Materials Data on SbOF by Materials Project

Dataset The Materials Project

SbOF crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of two SbOF clusters. Sb3+ is bonded in a distorted T-shaped geometry to two equivalent O2- and one F1- atom. There is one shorter (1.96 Å) and one longer (2.00 Å) Sb–O bond length. The Sb–F bond length is 1.97 Å. O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sb3+ atoms. F1- is bonded in a single-bond geometry to one Sb3+ atom.
Materials Data on SbOF by Materials Project

Dataset The Materials Project

SbOF is Brookite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sb3+ is bonded in a 6-coordinate geometry to three equivalent O2- and three equivalent F1- atoms. There are a spread of Sb–O bond distances ranging from 2.05–2.51 Å. There are a spread of Sb–F bond distances ranging from 2.11–2.74 Å. O2- is bonded in a 3-coordinate geometry to three equivalent Sb3+ atoms. F1- is bonded in a 1-coordinate geometry to three equivalent Sb3+ atoms.
Materials Data on SbOF by Materials Project

Dataset The Materials Project

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

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