Materials Data on PBr2N by Materials Project
PNBr2 crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of two 2,2,4,4,6,6,8,8-octabromo-1,3,5,7,2,4,6,8-tetrazatetraphosphocane-2,4,6,8-tetraium molecules. P5+ is bonded to two equivalent N3- and two Br1- atoms to form corner-sharing PBr2N2 tetrahedra. Both P–N bond lengths are 1.59 Å. Both P–Br bond lengths are 2.21 Å. N3- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one P5+ atom.
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