Materials Data on LaWN3 by Materials Project

doi:10.17188/1316923

Title: Materials Data on LaWN3 by Materials Project

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Abstract

LaWN3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to nine N3- atoms. There are a spread of La–N bond distances ranging from 2.53–2.98 Å. W6+ is bonded to six N3- atoms to form corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 17–19°. There are two shorter (2.02 Å) and four longer (2.03 Å) W–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent W6+ atoms. In the second N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent W6+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-989630

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; LaWN3; La-N-W

OSTI Identifier:: 1316923

DOI:: https://doi.org/10.17188/1316923

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                    The Materials Project. Materials Data on LaWN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316923.

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                    The Materials Project. Materials Data on LaWN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316923

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                    The Materials Project. 2020.  
"Materials Data on LaWN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316923.  https://www.osti.gov/servlets/purl/1316923. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1316923,

  title        = {Materials Data on LaWN3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaWN3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to nine N3- atoms. There are a spread of La–N bond distances ranging from 2.53–2.98 Å. W6+ is bonded to six N3- atoms to form corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 17–19°. There are two shorter (2.02 Å) and four longer (2.03 Å) W–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent W6+ atoms. In the second N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent W6+ atoms.},

  doi          = {10.17188/1316923},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316923

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