Materials Data on Co2NO6 by Materials Project
Co2NO6 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one Co2NO6 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Co+3.50+ sites. In the first Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.81–2.20 Å. In the second Co+3.50+ site, Co+3.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 1.89–2.31 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.21 Å) and one longer (1.46 Å) N–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to three Co+3.50+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Co+3.50+ atoms. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Co+3.50+ atoms. In the sixth O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Co+3.50+ and one N5+ atom.