Materials Data on LaTaO4 by Materials Project

doi:10.17188/1207715

Title: Materials Data on LaTaO4 by Materials Project

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Abstract

LaTaO4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.39–3.03 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 12–38°. There are a spread of Ta–O bond distances ranging from 1.93–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one La3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent La3+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded to three equivalent La3+ and one Ta5+ atom to form distorted corner-sharing OLa3Ta tetrahedra. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent La3+ and one Ta5+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-3998

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; LaTaO4; La-O-Ta

OSTI Identifier:: 1207715

DOI:: https://doi.org/10.17188/1207715

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                    The Materials Project. Materials Data on LaTaO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207715.

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                    The Materials Project. Materials Data on LaTaO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207715

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                    The Materials Project. 2020.  
"Materials Data on LaTaO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207715.  https://www.osti.gov/servlets/purl/1207715. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1207715,

  title        = {Materials Data on LaTaO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaTaO4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.39–3.03 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 12–38°. There are a spread of Ta–O bond distances ranging from 1.93–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one La3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent La3+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded to three equivalent La3+ and one Ta5+ atom to form distorted corner-sharing OLa3Ta tetrahedra. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent La3+ and one Ta5+ atom.},

  doi          = {10.17188/1207715},

  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/10.17188/1207715

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