Materials Data on RbLa2C6N6ClO6 by Materials Project

Abstract

RbLa2C6N6O6Cl crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Rb–O bond lengths are 3.01 Å. La3+ is bonded in a 10-coordinate geometry to three equivalent N3-, six equivalent O2-, and one Cl1- atom. All La–N bond lengths are 2.77 Å. There are three shorter (2.62 Å) and three longer (2.64 Å) La–O bond lengths. The La–Cl bond length is 2.91 Å. C4+ is bonded in a trigonal planar geometry to two equivalent N3- and one O2- atom. There is one shorter (1.35 Å) and one longer (1.36 Å) C–N bond length. The C–O bond length is 1.30 Å. N3- is bonded in a distorted bent 120 degrees geometry to one La3+ and two equivalent C4+ atoms. O2- is bonded in a distorted single-bond geometry to one Rb1+, two equivalent La3+, and one C4+ atom. Cl1- is bonded in a linear geometry to two equivalent La3+ atoms.