Materials Data on LaWN3 by Materials Project

doi:10.17188/1316939

Title: Materials Data on LaWN3 by Materials Project

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Abstract

LaWN3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of La–N bond distances ranging from 2.45–2.63 Å. W6+ is bonded to five N3- atoms to form a mixture of distorted corner and edge-sharing WN5 trigonal bipyramids. There are a spread of W–N bond distances ranging from 1.81–2.12 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent La3+ and one W6+ atom to form a mixture of distorted corner and edge-sharing NLa3W tetrahedra. In the second N3- site, N3- is bonded to one La3+ and three equivalent W6+ atoms to form a mixture of distorted corner and edge-sharing NLaW3 tetrahedra. In the third N3- site, N3- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one W6+ atom.

Publication Date:: 2020-07-22

Other Number(s):: mp-989646

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:: 1316939

DOI:: https://doi.org/10.17188/1316939

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                    Materials Data on LaWN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316939.

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                    Materials Data on LaWN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316939

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                    2020.  
"Materials Data on LaWN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316939.  https://www.osti.gov/servlets/purl/1316939. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1316939,

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

  
  abstractNote = {LaWN3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of La–N bond distances ranging from 2.45–2.63 Å. W6+ is bonded to five N3- atoms to form a mixture of distorted corner and edge-sharing WN5 trigonal bipyramids. There are a spread of W–N bond distances ranging from 1.81–2.12 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent La3+ and one W6+ atom to form a mixture of distorted corner and edge-sharing NLa3W tetrahedra. In the second N3- site, N3- is bonded to one La3+ and three equivalent W6+ atoms to form a mixture of distorted corner and edge-sharing NLaW3 tetrahedra. In the third N3- site, N3- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one W6+ atom.},

  doi          = {10.17188/1316939},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316939

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