Materials Data on Dy2TiO5 by Materials Project

doi:10.17188/1289765

Title: Materials Data on Dy2TiO5 by Materials Project

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Abstract

Dy2TiO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Dy3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.19–2.58 Å. Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Ti–O bond distances ranging from 1.96–2.08 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Dy3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Dy3+ and one Ti4+ atom. In the third O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Ti4+ atoms to form distorted corner-sharing ODy2Ti2 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-755107

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; Dy2TiO5; Dy-O-Ti

OSTI Identifier:: 1289765

DOI:: https://doi.org/10.17188/1289765

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                    The Materials Project. Materials Data on Dy2TiO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289765.

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                    The Materials Project. Materials Data on Dy2TiO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289765

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                    The Materials Project. 2020.  
"Materials Data on Dy2TiO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289765.  https://www.osti.gov/servlets/purl/1289765. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1289765,

  title        = {Materials Data on Dy2TiO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy2TiO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Dy3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.19–2.58 Å. Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Ti–O bond distances ranging from 1.96–2.08 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Dy3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Dy3+ and one Ti4+ atom. In the third O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Ti4+ atoms to form distorted corner-sharing ODy2Ti2 trigonal pyramids.},

  doi          = {10.17188/1289765},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1289765

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