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Materials Data on WN2 by Materials Project

WN2 is Low Tridymite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There is three shorter (1.86 Å) and one longer (1.87 Å) W–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on WN2 by Materials Project

WN2 is quartz (alpha) structured and crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. W6+ is bonded to four equivalent N3- atoms to form corner-sharing WN4 tetrahedra. All W–N bond lengths are 1.86 Å. N3- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on WN2 by Materials Project

WN2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.86–1.89 Å. In the second W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.86–1.89 Å. In the third W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.86–1.88 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two W6+ atoms. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two W6+ atoms. In the third N3- site, N3- is bonded in a bent 120 degrees geometry to two W6+ atoms. In the fourth N3- site, N3- is bonded in a bent 120 degrees geometry to two W6+ atoms. In the fifth N3- site, N3- is bonded in a bent 150 degrees geometry to two W6+ atoms. In the sixth N3- site, N3- is bonded in a bent 120 degrees geometry to two W6+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on WN2 by Materials Project

WN2 is Fluorite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. W6+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. There are six shorter (2.11 Å) and two longer (2.26 Å) W–N bond lengths. N3- is bonded to four equivalent W6+ atoms to form a mixture of distorted corner and edge-sharing NW4 tetrahedra.

36 MATERIALS SCIENCE↗

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↗

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↗

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↗