Materials Data on Sb2S2O by Materials Project

doi:10.17188/1202780

Title: Materials Data on Sb2S2O by Materials Project

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Abstract

Sb2S2O crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Sb2S2O sheet oriented in the (-1, 0, 1) direction. there are four inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five S2- atoms to form edge-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.46–3.08 Å. In the second Sb3+ site, Sb3+ is bonded to five S2- atoms to form distorted edge-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.47–3.19 Å. In the third Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to one S2- and three O2- atoms. The Sb–S bond length is 2.53 Å. There are a spread of Sb–O bond distances ranging from 2.05–2.18 Å. In the fourth Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to one S2- and three O2- atoms. The Sb–S bond length is 2.51 Å. There are a spread of Sb–O bond distances ranging from 2.05–2.20 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to three Sb3+ atoms. In the second S2- site, S2- is bondedmore »« less

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-28711

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; Sb2S2O; O-S-Sb

OSTI Identifier:: 1202780

DOI:: https://doi.org/10.17188/1202780

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                    The Materials Project. Materials Data on Sb2S2O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202780.

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                    The Materials Project. Materials Data on Sb2S2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1202780

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                    The Materials Project. 2020.  
"Materials Data on Sb2S2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1202780.  https://www.osti.gov/servlets/purl/1202780. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1202780,

  title        = {Materials Data on Sb2S2O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sb2S2O crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Sb2S2O sheet oriented in the (-1, 0, 1) direction. there are four inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five S2- atoms to form edge-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.46–3.08 Å. In the second Sb3+ site, Sb3+ is bonded to five S2- atoms to form distorted edge-sharing SbS5 square pyramids. There are a spread of Sb–S bond distances ranging from 2.47–3.19 Å. In the third Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to one S2- and three O2- atoms. The Sb–S bond length is 2.53 Å. There are a spread of Sb–O bond distances ranging from 2.05–2.18 Å. In the fourth Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to one S2- and three O2- atoms. The Sb–S bond length is 2.51 Å. There are a spread of Sb–O bond distances ranging from 2.05–2.20 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to three Sb3+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to three Sb3+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to three Sb3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sb3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms.},

  doi          = {10.17188/1202780},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202780

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