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Materials Data on Al(CuN)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1665548· OSTI ID:1665548
Al(CuN)3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu2+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Cu–N bond lengths are 2.04 Å. Al3+ is bonded to six equivalent N3- atoms to form corner-sharing AlN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Al–N bond lengths are 2.04 Å. N3- is bonded to four equivalent Cu2+ and two equivalent Al3+ atoms to form a mixture of edge and corner-sharing NAl2Cu4 octahedra. The corner-sharing octahedral tilt angles are 0°.
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:
1665548
Report Number(s):
mp-1147771
Country of Publication:
United States
Language:
English

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