Materials Data on LaTiNO2 by Materials Project

doi:10.17188/1652637

Title: Materials Data on LaTiNO2 by Materials Project

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Abstract

LaTiO2N is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to three equivalent N3- and eight equivalent O2- atoms. There are one shorter (2.43 Å) and two longer (2.80 Å) La–N bond lengths. There are four shorter (2.62 Å) and four longer (3.02 Å) La–O bond lengths. Ti4+ is bonded to two equivalent N3- and four equivalent O2- atoms to form corner-sharing TiN2O4 octahedra. The corner-sharing octahedra tilt angles range from 16–22°. Both Ti–N bond lengths are 2.03 Å. All Ti–O bond lengths are 1.99 Å. N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent Ti4+ atoms. O2- is bonded in a 2-coordinate geometry to four equivalent La3+ and two equivalent Ti4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-1222753

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; LaTiNO2; La-N-O-Ti

OSTI Identifier:: 1652637

DOI:: https://doi.org/10.17188/1652637

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                    The Materials Project. Materials Data on LaTiNO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652637.

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                    The Materials Project. Materials Data on LaTiNO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652637

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                    The Materials Project. 2020.  
"Materials Data on LaTiNO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652637.  https://www.osti.gov/servlets/purl/1652637. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1652637,

  title        = {Materials Data on LaTiNO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaTiO2N is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to three equivalent N3- and eight equivalent O2- atoms. There are one shorter (2.43 Å) and two longer (2.80 Å) La–N bond lengths. There are four shorter (2.62 Å) and four longer (3.02 Å) La–O bond lengths. Ti4+ is bonded to two equivalent N3- and four equivalent O2- atoms to form corner-sharing TiN2O4 octahedra. The corner-sharing octahedra tilt angles range from 16–22°. Both Ti–N bond lengths are 2.03 Å. All Ti–O bond lengths are 1.99 Å. N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent Ti4+ atoms. O2- is bonded in a 2-coordinate geometry to four equivalent La3+ and two equivalent Ti4+ atoms.},

  doi          = {10.17188/1652637},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1652637

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