Materials Data on CoBr3N5 by Materials Project

CoN5Br3 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four CoN5Br3 clusters. Co4+ is bonded in a 4-coordinate geometry to five N+1.40- atoms. There are a spread of Co–N bond distances ranging from 1.56–2.15 Å. There are four inequivalent N+1.40- sites. In the first N+1.40- site, N+1.40- is bonded in a 3-coordinate geometry to one Co4+, two equivalent N+1.40-, and one Br1+ atom. Both N–N bond lengths are 1.28 Å. The N–Br bond length is 2.01 Å. In the second N+1.40- site, N+1.40- is bonded in a single-bond geometry to one Co4+ atom. In the third N+1.40- site, N+1.40- is bonded in a distorted single-bond geometry to one Co4+ and two equivalent Br1+ atoms. Both N–Br bond lengths are 1.89 Å. In the fourth N+1.40- site, N+1.40- is bonded in a distorted L-shaped geometry to one Co4+ and one N+1.40- atom. There are two inequivalent Br1+ sites. In the first Br1+ site, Br1+ is bonded in a single-bond geometry to one N+1.40- atom. In the second Br1+ site, Br1+ is bonded in a single-bond geometry to one N+1.40- atom.