Materials Data on LiTaO3 by Materials Project

doi:10.17188/1207210

Title: Materials Data on LiTaO3 by Materials Project

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Abstract

LiTaO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.08 Å) and three longer (2.31 Å) Li–O bond lengths. Ta5+ is bonded to six equivalent O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are three shorter (1.93 Å) and three longer (2.09 Å) Ta–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Li1+ and two equivalent Ta5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-3666

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; LiTaO3; Li-O-Ta

OSTI Identifier:: 1207210

DOI:: https://doi.org/10.17188/1207210

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                    The Materials Project. Materials Data on LiTaO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207210.

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                    The Materials Project. Materials Data on LiTaO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207210

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                    The Materials Project. 2020.  
"Materials Data on LiTaO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207210.  https://www.osti.gov/servlets/purl/1207210. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1207210,

  title        = {Materials Data on LiTaO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiTaO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.08 Å) and three longer (2.31 Å) Li–O bond lengths. Ta5+ is bonded to six equivalent O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are three shorter (1.93 Å) and three longer (2.09 Å) Ta–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Li1+ and two equivalent Ta5+ atoms.},

  doi          = {10.17188/1207210},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207210

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