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Materials Data on Br3N by Materials Project

N2(Br)6 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of four ammonia molecules and twelve hydrobromic acid molecules.

36 MATERIALS SCIENCE↗

Materials Data on BrN4 by Materials Project

N4Br crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two N4Br ribbons oriented in the (1, 0, 0) direction. there are four inequivalent N+1.25- sites. In the first N+1.25- site, N+1.25- is bonded in a distorted trigonal planar geometry to three N+1.25- atoms. There are a spread of N–N bond distances ranging from 1.30–1.40 Å. In the second N+1.25- site, N+1.25- is bonded in a bent 120 degrees geometry to two N+1.25- atoms. The N–N bond length is 1.28 Å. In the third N+1.25- site, N+1.25- is bonded in a water-like geometry to two N+1.25- atoms. In the fourth N+1.25- site, N+1.25- is bonded in a bent 120 degrees geometry to one N+1.25- and one Br5+ atom. The N–Br bond length is 1.88 Å. Br5+ is bonded in a single-bond geometry to one N+1.25- atom.

36 MATERIALS SCIENCE↗

Materials Data on BrN3 by Materials Project

BrN3 crystallizes in the tetragonal I4_1cd space group. The structure is zero-dimensional and consists of sixteen BrN3 clusters. there are three inequivalent N+1.67- sites. In the first N+1.67- site, N+1.67- is bonded in a linear geometry to two N+1.67- atoms. There is one shorter (1.15 Å) and one longer (1.24 Å) N–N bond length. In the second N+1.67- site, N+1.67- is bonded in a single-bond geometry to one N+1.67- atom. In the third N+1.67- site, N+1.67- is bonded in a water-like geometry to one N+1.67- and one Br5+ atom. The N–Br bond length is 1.92 Å. Br5+ is bonded in a single-bond geometry to one N+1.67- atom.

36 MATERIALS SCIENCE↗

Materials Data on BrN by Materials Project

BrN is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. N1+ is bonded in a body-centered cubic geometry to eight equivalent Br1- atoms. All N–Br bond lengths are 2.64 Å. Br1- is bonded in a body-centered cubic geometry to eight equivalent N1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on BrN by Materials Project

BrN crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one BrN sheet oriented in the (0, 0, 1) direction. N1+ is bonded in a distorted square co-planar geometry to four equivalent Br1- atoms. All N–Br bond lengths are 2.21 Å. Br1- is bonded in a distorted square co-planar geometry to four equivalent N1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on BrN by Materials Project

BrN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. N1+ is bonded to six equivalent Br1- atoms to form a mixture of edge and corner-sharing NBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All N–Br bond lengths are 2.44 Å. Br1- is bonded to six equivalent N1+ atoms to form a mixture of edge and corner-sharing BrN6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗