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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on WN by 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°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on W3N4 by Materials Project

W3N4 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. W4+ is bonded to six N3- atoms to form a mixture of corner and edge-sharing WN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All W–N bond lengths are 2.11 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent W4+ atoms to form corner-sharing NW6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N3- site, N3- is bonded in a square co-planar geometry to four equivalent W4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WN2 by Materials Project

WN2 is Brookite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. W6+ is bonded to six N3- atoms to form a mixture of distorted corner and edge-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 15–65°. There are a spread of W–N bond distances ranging from 1.86–2.36 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted T-shaped geometry to three equivalent W6+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to three equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WN2 by Materials Project

WN2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. W6+ 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 48°. There are four shorter (2.01 Å) and two longer (2.08 Å) W–N bond lengths. N3- is bonded in a distorted trigonal planar geometry to three equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaWN3 by Materials Project

LaWN3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to nine equivalent N3- atoms. There are three shorter (2.56 Å) and six longer (2.84 Å) La–N bond lengths. W6+ is bonded to six equivalent N3- atoms to form corner-sharing WN6 octahedra. The corner-sharing octahedral tilt angles are 17°. All W–N bond lengths are 2.03 Å. N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaWN3 by Materials Project

LaWN3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to six equivalent N3- atoms. There are three shorter (2.56 Å) and three longer (2.65 Å) La–N bond lengths. W6+ is bonded to six equivalent N3- atoms to form corner-sharing WN6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are three shorter (1.90 Å) and three longer (2.20 Å) W–N bond lengths. N3- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YWN3 by Materials Project

YWN3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. There are three shorter (2.37 Å) and three longer (2.50 Å) Y–N bond lengths. W6+ is bonded to six equivalent N3- atoms to form distorted corner-sharing WN6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are three shorter (1.90 Å) and three longer (2.22 Å) W–N bond lengths. N3- is bonded to two equivalent Y3+ and two equivalent W6+ atoms to form a mixture of distorted edge and corner-sharing NY2W2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaWN3 by Materials Project

LaWN3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to nine equivalent N3- atoms. There are three shorter (2.59 Å) and six longer (2.87 Å) La–N bond lengths. W6+ is bonded to six equivalent N3- atoms to form distorted corner-sharing WN6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are three shorter (1.89 Å) and three longer (2.19 Å) W–N bond lengths. N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaWN3 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WN by 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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WN2 by Materials Project

WN2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. W6+ is bonded to six equivalent N3- atoms to form distorted edge-sharing WN6 pentagonal pyramids. All W–N bond lengths are 2.10 Å. N3- is bonded in a rectangular see-saw-like geometry to three equivalent W6+ and one N3- atom. The N–N bond length is 1.42 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WN by Materials Project

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°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WN2 by Materials Project

WN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 pentagonal pyramids. There are a spread of W–N bond distances ranging from 1.90–2.14 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to three equivalent W6+ atoms. In the second N3- site, N3- is bonded in a distorted T-shaped geometry to three equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WN2 by Materials Project

WN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of W–N bond distances ranging from 1.87–2.32 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of W–N bond distances ranging from 1.82–2.45 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the third N3- site, N3- is bonded in a linear geometry to two W6+ atoms. In the fourth N3- site, N3- is bonded in a 4-coordinate geometry to four W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WN2 by Materials Project

WN2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. W6+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge and corner-sharing WN6 pentagonal pyramids. There are four shorter (1.98 Å) and two longer (2.10 Å) W–N bond lengths. N3- is bonded in a 3-coordinate geometry to three equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WN2 by Materials Project

WN2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W6+ is bonded to six equivalent N3- atoms to form distorted edge-sharing WN6 pentagonal pyramids. All W–N bond lengths are 2.10 Å. N3- is bonded in a rectangular see-saw-like geometry to three equivalent W6+ and one N3- atom. The N–N bond length is 1.40 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on WN by Materials Project

NW1 is Corundum-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent W3+ sites. In the first W3+ site, W3+ is bonded to six N3- atoms to form edge-sharing WN6 octahedra. There are three shorter (2.09 Å) and three longer (2.27 Å) W–N bond lengths. In the second W3+ site, W3+ is bonded in a distorted rectangular see-saw-like geometry to four N3- atoms. There are one shorter (2.04 Å) and three longer (2.16 Å) W–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a rectangular see-saw-like geometry to four W3+ atoms. In the second N3- site, N3- is bonded to six W3+ atoms to form distorted edge-sharing NW6 pentagonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WN2 by Materials Project

WN2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. W6+ is bonded to six equivalent N3- atoms to form corner-sharing WN6 octahedra. The corner-sharing octahedral tilt angles are 61°. All W–N bond lengths are 2.05 Å. N3- is bonded in a trigonal planar geometry to three equivalent W6+ atoms.

36 MATERIALS SCIENCE↗