Materials Data on SO3 by Materials Project

doi:10.17188/1199933

Title: Materials Data on SO3 by Materials Project

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Abstract

SO3 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four 13771-24-9 molecules. there are three inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.42–1.66 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.41–1.65 Å. In the third S6+ site, S6+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.41–1.66 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two S6+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to 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. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two S6+more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-2414

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; SO3; O-S

OSTI Identifier:: 1199933

DOI:: https://doi.org/10.17188/1199933

Citation Formats


                    The Materials Project. Materials Data on SO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199933.

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                    The Materials Project. Materials Data on SO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199933

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                    The Materials Project. 2020.  
"Materials Data on SO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199933.  https://www.osti.gov/servlets/purl/1199933. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1199933,

  title        = {Materials Data on SO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SO3 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four 13771-24-9 molecules. there are three inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.42–1.66 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.41–1.65 Å. In the third S6+ site, S6+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.41–1.66 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two S6+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to 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. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two S6+ atoms. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two S6+ atoms. In the eighth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom.},

  doi          = {10.17188/1199933},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1199933

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