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Materials Data on ZrN by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1729305· OSTI ID:1729305
ZrN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr3+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge and corner-sharing ZrN6 pentagonal pyramids. All Zr–N bond lengths are 2.31 Å. N3- is bonded to six equivalent Zr3+ atoms to form a mixture of edge, corner, and face-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 47°.
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:
1729305
Report Number(s):
mp-1093992
Country of Publication:
United States
Language:
English

References (2)

Production and characterization of hard films of ZrN with temperature variations journal August 2005
Chemical reactivity of PVD-coated WC–Co tools with steel journal January 2007

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