Materials Data on LaWN3 by Materials Project

doi:10.17188/1316807

Title: Materials Data on LaWN3 by Materials Project

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Abstract

LaWN3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are four shorter (2.51 Å) and four longer (2.85 Å) La–N bond lengths. W6+ is bonded in a 5-coordinate geometry to five N3- atoms. There is one shorter (1.81 Å) and four longer (2.01 Å) W–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent La3+ and two equivalent W6+ atoms to form a mixture of distorted edge and corner-sharing NLa2W2 trigonal pyramids. In the second N3- site, N3- is bonded in a distorted single-bond geometry to four equivalent La3+ and one W6+ atom.

Publication Date:: 2020-07-23

Other Number(s):: mp-989497

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; La-N-W; LaWN3; crystal structure

OSTI Identifier:: 1316807

DOI:: https://doi.org/10.17188/1316807

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                    Materials Data on LaWN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316807.

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                    Materials Data on LaWN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316807

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                    2020.  
"Materials Data on LaWN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316807.  https://www.osti.gov/servlets/purl/1316807. Pub date:Thu Jul 23 04:00:00 UTC 2020

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@article{osti_1316807,

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

  
  abstractNote = {LaWN3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are four shorter (2.51 Å) and four longer (2.85 Å) La–N bond lengths. W6+ is bonded in a 5-coordinate geometry to five N3- atoms. There is one shorter (1.81 Å) and four longer (2.01 Å) W–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent La3+ and two equivalent W6+ atoms to form a mixture of distorted edge and corner-sharing NLa2W2 trigonal pyramids. In the second N3- site, N3- is bonded in a distorted single-bond geometry to four equivalent La3+ and one W6+ atom.},

  doi          = {10.17188/1316807},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316807

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