Materials Data on Cs2(CoN8)3 by Materials Project
Cs2(CoN8)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten N+0.33- atoms. There are a spread of Cs–N bond distances ranging from 3.17–3.68 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six N+0.33- atoms to form edge-sharing CoN6 octahedra. There are a spread of Co–N bond distances ranging from 2.10–2.20 Å. In the second Co2+ site, Co2+ is bonded to six N+0.33- atoms to form edge-sharing CoN6 octahedra. There are a spread of Co–N bond distances ranging from 2.02–2.34 Å. There are twelve inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. There is one shorter (1.17 Å) and one longer (1.20 Å) N–N bond length. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to one Cs1+ and two N+0.33- atoms. There is one shorter (1.18 Å) and one longer (1.19 Å) N–N bond length. In the third N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two Co2+ and one N+0.33- atom. The N–N bond length is 1.21 Å. In the fourth N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two equivalent Cs1+ and one N+0.33- atom. The N–N bond length is 1.17 Å. In the fifth N+0.33- site, N+0.33- is bonded to three Co2+ and one N+0.33- atom to form a mixture of distorted edge and corner-sharing NCo3N tetrahedra. The N–N bond length is 1.21 Å. In the sixth N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one N+0.33- atom. The N–N bond length is 1.17 Å. In the seventh N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two Co2+ and one N+0.33- atom. In the eighth N+0.33- site, N+0.33- is bonded in a 4-coordinate geometry to three equivalent Cs1+ and one N+0.33- atom. In the ninth N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to one Cs1+, one Co2+, and one N+0.33- atom. In the tenth N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to one Co2+ and one N+0.33- atom. In the eleventh N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. In the twelfth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms.