Materials Data on Y2Ti2S2O5 by Materials Project

doi:10.17188/1200585

Title: Materials Data on Y2Ti2S2O5 by Materials Project

Abstract

Y2Ti2O5S2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to five equivalent S2- and four O2- atoms. There are four shorter (2.83 Å) and one longer (2.96 Å) Y–S bond lengths. There are two shorter (2.45 Å) and two longer (2.46 Å) Y–O bond lengths. Ti4+ is bonded to five O2- atoms to form distorted corner-sharing TiO5 trigonal bipyramids. There is one shorter (1.81 Å) and four longer (1.96 Å) Ti–O bond length. S2- is bonded in a 5-coordinate geometry to five equivalent Y3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Ti4+ atoms.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-25305

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; Y2Ti2S2O5; O-S-Ti-Y

OSTI Identifier:: 1200585

DOI:: https://doi.org/10.17188/1200585

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                    The Materials Project. Materials Data on Y2Ti2S2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200585.

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                    The Materials Project. Materials Data on Y2Ti2S2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1200585

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                    The Materials Project. 2020.  
"Materials Data on Y2Ti2S2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1200585.  https://www.osti.gov/servlets/purl/1200585. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1200585,

  title        = {Materials Data on Y2Ti2S2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y2Ti2O5S2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to five equivalent S2- and four O2- atoms. There are four shorter (2.83 Å) and one longer (2.96 Å) Y–S bond lengths. There are two shorter (2.45 Å) and two longer (2.46 Å) Y–O bond lengths. Ti4+ is bonded to five O2- atoms to form distorted corner-sharing TiO5 trigonal bipyramids. There is one shorter (1.81 Å) and four longer (1.96 Å) Ti–O bond length. S2- is bonded in a 5-coordinate geometry to five equivalent Y3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Ti4+ atoms.},

  doi          = {10.17188/1200585},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1200585

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Works referencing / citing this record:

Oxysulfide photocatalyst for visible-light-driven overall water splitting
journal, June 2019

Wang, Qian; Nakabayashi, Mamiko; Hisatomi, Takashi
Nature Materials, Vol. 18, Issue 8
https://doi.org/10.1038/s41563-019-0399-z

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Title: Materials Data on Y2Ti2S2O5 by Materials Project

Abstract

Citation Formats

Oxysulfide photocatalyst for visible-light-driven overall water splitting journal, June 2019

Oxysulfide photocatalyst for visible-light-driven overall water splitting
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