Materials Data on Pr2Ti2S2O5 by Materials Project

doi:10.17188/1267590

Title: Materials Data on Pr2Ti2S2O5 by Materials Project

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Abstract

Pr2Ti2S2O5 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent O2- atoms. There are four shorter (2.89 Å) and one longer (3.07 Å) Pr–S bond lengths. All Pr–O bond lengths are 2.54 Å. Ti4+ is bonded to one S2- and five O2- atoms to form distorted corner-sharing TiSO5 square pyramids. The Ti–S bond length is 2.95 Å. There is one shorter (1.81 Å) and four longer (1.99 Å) Ti–O bond length. S2- is bonded in a 6-coordinate geometry to five equivalent Pr3+ and one Ti4+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Pr3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Ti4+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-552963

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; Pr2Ti2S2O5; O-Pr-S-Ti

OSTI Identifier:: 1267590

DOI:: https://doi.org/10.17188/1267590

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                    The Materials Project. Materials Data on Pr2Ti2S2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267590.

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                    The Materials Project. Materials Data on Pr2Ti2S2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267590

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                    The Materials Project. 2020.  
"Materials Data on Pr2Ti2S2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267590.  https://www.osti.gov/servlets/purl/1267590. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1267590,

  title        = {Materials Data on Pr2Ti2S2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr2Ti2S2O5 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent O2- atoms. There are four shorter (2.89 Å) and one longer (3.07 Å) Pr–S bond lengths. All Pr–O bond lengths are 2.54 Å. Ti4+ is bonded to one S2- and five O2- atoms to form distorted corner-sharing TiSO5 square pyramids. The Ti–S bond length is 2.95 Å. There is one shorter (1.81 Å) and four longer (1.99 Å) Ti–O bond length. S2- is bonded in a 6-coordinate geometry to five equivalent Pr3+ and one Ti4+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Pr3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Ti4+ atoms.},

  doi          = {10.17188/1267590},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1267590

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