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Title: Materials Data on OsN2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274779· OSTI ID:1274779

OsN2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Os6+ is bonded to six N3- atoms to form OsN6 octahedra that share corners with eight equivalent OsN6 octahedra, corners with six NOs3N tetrahedra, and edges with two equivalent OsN6 octahedra. The corner-sharing octahedra tilt angles range from 63–69°. There are a spread of Os–N bond distances ranging from 2.06–2.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Os6+ and one N3- atom to form distorted NOs3N tetrahedra that share corners with three equivalent OsN6 octahedra, corners with thirteen NOs3N tetrahedra, and an edgeedge with one NOs3N tetrahedra. The corner-sharing octahedra tilt angles range from 64–69°. The N–N bond length is 1.43 Å. In the second N3- site, N3- is bonded to three equivalent Os6+ and one N3- atom to form distorted NOs3N tetrahedra that share corners with three equivalent OsN6 octahedra, corners with thirteen NOs3N tetrahedra, and an edgeedge with one NOs3N tetrahedra. The corner-sharing octahedra tilt angles range from 63–65°.

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:
1274779
Report Number(s):
mp-568862
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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