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Materials Data on Cr3N2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1730691· OSTI ID:1730691
Cr3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Cr2+ is bonded to four equivalent N3- atoms to form a mixture of distorted corner and edge-sharing CrN4 trigonal pyramids. There is two shorter (1.93 Å) and two longer (2.01 Å) Cr–N bond length. N3- is bonded to six equivalent Cr2+ atoms to form a mixture of corner, edge, and face-sharing NCr6 octahedra. The corner-sharing octahedra tilt angles range from 46–51°.
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:
1730691
Report Number(s):
mp-1096882
Country of Publication:
United States
Language:
English

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