Materials Data on WN2 by Materials Project

Abstract

WN2 is Brookite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight 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 octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.36 Å. In the second W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.37 Å. In the third W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.37 Å. In the fourth W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.37 Å. In the fifth W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.37 Å. In the sixth W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.37 Å. In the seventh W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.35 Å. In the eighth W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.36 Å. There are sixteen 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 3-coordinate geometry to three W6+ atoms. In the fourth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the fifth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the sixth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the seventh N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the eighth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the ninth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the tenth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the eleventh N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the twelfth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the thirteenth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the fourteenth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the fifteenth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the sixteenth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms.