Materials Data on Sr2Ti2O5 by Materials Project

doi:10.17188/1739324

Title: Materials Data on Sr2Ti2O5 by Materials Project

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Abstract

Sr2Ti2O5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sr2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.68–2.91 Å. Ti3+ is bonded to five O2- atoms to form corner-sharing TiO5 square pyramids. There are a spread of Ti–O bond distances ranging from 1.95–1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Ti3+ atoms to form a mixture of distorted corner and edge-sharing OSr4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+ and two equivalent Ti3+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ti3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1094047

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; Sr2Ti2O5; O-Sr-Ti

OSTI Identifier:: 1739324

DOI:: https://doi.org/10.17188/1739324

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                    The Materials Project. Materials Data on Sr2Ti2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1739324.

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                    The Materials Project. Materials Data on Sr2Ti2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1739324

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                    The Materials Project. 2020.  
"Materials Data on Sr2Ti2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1739324.  https://www.osti.gov/servlets/purl/1739324. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1739324,

  title        = {Materials Data on Sr2Ti2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2Ti2O5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sr2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.68–2.91 Å. Ti3+ is bonded to five O2- atoms to form corner-sharing TiO5 square pyramids. There are a spread of Ti–O bond distances ranging from 1.95–1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Ti3+ atoms to form a mixture of distorted corner and edge-sharing OSr4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+ and two equivalent Ti3+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ti3+ atoms.},

  doi          = {10.17188/1739324},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1739324

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