Materials Data on LaTaN2O by Materials Project

doi:10.17188/1267425

Title: Materials Data on LaTaN2O by Materials Project

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Abstract

LaTaON2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to six N3- and two equivalent O2- atoms. There are a spread of La–N bond distances ranging from 2.47–2.97 Å. Both La–O bond lengths are 2.60 Å. Ta5+ is bonded to four N3- and two equivalent O2- atoms to form corner-sharing TaN4O2 octahedra. The corner-sharing octahedra tilt angles range from 8–28°. All Ta–N bond lengths are 2.08 Å. Both Ta–O bond lengths are 2.05 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to four equivalent La3+ and two equivalent Ta5+ atoms. In the second N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Ta5+ atoms. O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Ta5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-550514

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; LaTaN2O; La-N-O-Ta

OSTI Identifier:: 1267425

DOI:: https://doi.org/10.17188/1267425

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                    The Materials Project. Materials Data on LaTaN2O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267425.

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                    The Materials Project. Materials Data on LaTaN2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1267425

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                    The Materials Project. 2020.  
"Materials Data on LaTaN2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1267425.  https://www.osti.gov/servlets/purl/1267425. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1267425,

  title        = {Materials Data on LaTaN2O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaTaON2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to six N3- and two equivalent O2- atoms. There are a spread of La–N bond distances ranging from 2.47–2.97 Å. Both La–O bond lengths are 2.60 Å. Ta5+ is bonded to four N3- and two equivalent O2- atoms to form corner-sharing TaN4O2 octahedra. The corner-sharing octahedra tilt angles range from 8–28°. All Ta–N bond lengths are 2.08 Å. Both Ta–O bond lengths are 2.05 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to four equivalent La3+ and two equivalent Ta5+ atoms. In the second N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Ta5+ atoms. O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Ta5+ atoms.},

  doi          = {10.17188/1267425},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1267425

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