Materials Data on SbSO4F3 by Materials Project

doi:10.17188/1298734

Title: Materials Data on SbSO4F3 by Materials Project

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Abstract

SbSO4F3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two SbSO4F3 ribbons oriented in the (1, 0, 0) direction. Sb5+ is bonded to two O2- and three F1- atoms to form SbO2F3 square pyramids that share corners with two equivalent SO4 tetrahedra. There is one shorter (1.98 Å) and one longer (2.00 Å) Sb–O bond length. There are a spread of Sb–F bond distances ranging from 1.86–1.89 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent SbO2F3 square pyramids. There are a spread of S–O bond distances ranging from 1.42–1.60 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sb5+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb5+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-769377

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; SbSO4F3; F-O-S-Sb

OSTI Identifier:: 1298734

DOI:: https://doi.org/10.17188/1298734

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                    The Materials Project. Materials Data on SbSO4F3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1298734.

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                    The Materials Project. Materials Data on SbSO4F3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1298734

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                    The Materials Project. 2020.  
"Materials Data on SbSO4F3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1298734.  https://www.osti.gov/servlets/purl/1298734. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1298734,

  title        = {Materials Data on SbSO4F3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SbSO4F3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two SbSO4F3 ribbons oriented in the (1, 0, 0) direction. Sb5+ is bonded to two O2- and three F1- atoms to form SbO2F3 square pyramids that share corners with two equivalent SO4 tetrahedra. There is one shorter (1.98 Å) and one longer (2.00 Å) Sb–O bond length. There are a spread of Sb–F bond distances ranging from 1.86–1.89 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent SbO2F3 square pyramids. There are a spread of S–O bond distances ranging from 1.42–1.60 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sb5+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb5+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.},

  doi          = {10.17188/1298734},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1298734

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