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Materials Data on ZrN by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1349849· OSTI ID:1349849
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 edge, face, and corner-sharing ZrN6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Zr–N bond lengths are 2.34 Å. N3- is bonded to six equivalent Zr3+ atoms to form a mixture of distorted edge and corner-sharing NZr6 pentagonal pyramids.
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:
1349849
Report Number(s):
mp-1017546
Country of Publication:
United States
Language:
English

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