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Materials Data on OsN by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1751077· OSTI ID:1751077
OsN crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two OsN sheets oriented in the (0, 1, 0) direction. there are two inequivalent Os3+ sites. In the first Os3+ site, Os3+ is bonded in an L-shaped geometry to two equivalent N3- atoms. Both Os–N bond lengths are 2.06 Å. In the second Os3+ site, Os3+ is bonded in a rectangular see-saw-like geometry to four N3- atoms. There are a spread of Os–N bond distances ranging from 2.07–2.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three Os3+ and one N3- atom to form distorted corner-sharing NOs3N tetrahedra. The N–N bond length is 1.42 Å. In the second N3- site, N3- is bonded to three equivalent Os3+ and one N3- atom to form distorted corner-sharing NOs3N tetrahedra.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1751077
Report Number(s):
mp-1078828
Country of Publication:
United States
Language:
English

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