Materials Data on CN6Cl by Materials Project

Abstract

CN6Cl crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of two CN6Cl sheets oriented in the (0, 1, 0) direction. C3+ is bonded in a trigonal planar geometry to three N+0.33- atoms. All C–N bond lengths are 1.37 Å. There are six inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one C3+ and one N+0.33- atom. The N–N bond length is 1.17 Å. In the second N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one C3+ and one N+0.33- atom. The N–N bond length is 1.17 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one C3+ and one N+0.33- atom. The N–N bond length is 1.17 Å. In the fourth N+0.33- site, N+0.33- is bonded in a distorted bent 120 degrees geometry to one N+0.33- and one Cl1- atom. The N–Cl bond length is 2.57 Å. In the fifth N+0.33- site, N+0.33- is bonded in a distorted bent 120 degrees geometry to one N+0.33- and one Cl1- atom. The N–Cl bond length is 2.49 Å. In the sixth N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to one N+0.33- and one Cl1- atom. The N–Cl bond length is 2.74 Å. Cl1- is bonded in a distorted trigonal planar geometry to three N+0.33- atoms.