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Title: Materials Data on WN2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1304237· OSTI ID:1304237

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1304237
Report Number(s):
mp-776343
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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