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Materials Data on CuN5 by Materials Project

CuN5 crystallizes in the tetragonal I4_1/a space group. The structure is one-dimensional and consists of four CuN5 ribbons oriented in the (0, 0, 1) direction. Cu1+ is bonded in a 4-coordinate geometry to four equivalent N+0.20- atoms. All Cu–N bond lengths are 1.88 Å. There are two inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- is bonded in a water-like geometry to one Cu1+ and one N+0.20- atom. The N–N bond length is 1.38 Å. In the second N+0.20- site, N+0.20- is bonded in a 4-coordinate geometry to four equivalent N+0.20- atoms.

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