Materials Data on WN by Materials Project

doi:10.17188/1339665

Title: Materials Data on WN by Materials Project

Dataset
Other Related Research

Abstract

NW1 is Tungsten Carbide-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. W3+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 3–30°. There are a spread of W–N bond distances ranging from 2.16–2.33 Å. N3- is bonded to six equivalent W3+ atoms to form a mixture of distorted edge and corner-sharing NW6 octahedra. The corner-sharing octahedra tilt angles range from 3–30°.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mvc-15387

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; WN; N-W

OSTI Identifier:: 1339665

DOI:: https://doi.org/10.17188/1339665

Citation Formats


                    The Materials Project. Materials Data on WN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1339665.

Copy to clipboard


                    The Materials Project. Materials Data on WN by Materials Project.  United States.  doi:https://doi.org/10.17188/1339665

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on WN by Materials Project".  United States.  doi:https://doi.org/10.17188/1339665.  https://www.osti.gov/servlets/purl/1339665. Pub date:Thu Jul 23 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1339665,

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

  author       = {The Materials Project},

  abstractNote = {NW1 is Tungsten Carbide-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. W3+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 3–30°. There are a spread of W–N bond distances ranging from 2.16–2.33 Å. N3- is bonded to six equivalent W3+ atoms to form a mixture of distorted edge and corner-sharing NW6 octahedra. The corner-sharing octahedra tilt angles range from 3–30°.},

  doi          = {10.17188/1339665},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1339665

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on WN by Materials Project

Dataset The Materials Project

NW1 is Boron Nitride structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. W3+ is bonded in a rectangular see-saw-like geometry to four equivalent N3- atoms. There are one shorter (2.00 Å) and three longer (2.08 Å) W–N bond lengths. N3- is bonded in a rectangular see-saw-like geometry to four equivalent W3+ atoms.
Materials Data on WN by Materials Project

Dataset The Materials Project

NW1 is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. W3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing WN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All W–N bond lengths are 2.18 Å. N3- is bonded to six equivalent W3+ atoms to form a mixture of edge and corner-sharing NW6 octahedra. The corner-sharing octahedral tilt angles are 0°.
Materials Data on WN by Materials Project

Dataset The Materials Project

NW1 is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. W3+ is bonded to four equivalent N3- atoms to form corner-sharing WN4 tetrahedra. All W–N bond lengths are 2.02 Å. N3- is bonded to four equivalent W3+ atoms to form corner-sharing NW4 tetrahedra.
Materials Data on Mg(WN)2 by Materials Project

Dataset The Materials Project

Mg(WN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Mg(WN)2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded to four equivalent N3- atoms to form corner-sharing MgN4 tetrahedra. All Mg–N bond lengths are 2.11 Å. W2+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both W–N bond lengths are 1.92 Å. N3- is bonded to two equivalent Mg2+ and two equivalent W2+ atoms to form corner-sharing NMg2W2 tetrahedra.
Materials Data on WN by Materials Project

Dataset The Materials Project

NW1 is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. W3+ is bonded to six equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing WN6 pentagonal pyramids. All W–N bond lengths are 2.21 Å. N3- is bonded to six equivalent W3+ atoms to form a mixture of distorted corner, edge, and face-sharing NW6 pentagonal pyramids.

Similar Records