Materials Data on K3ReC4(N2O)2 by Materials Project

Abstract

K3ReC4(N2O)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in an octahedral geometry to four N3- and two equivalent O2- atoms. There are two shorter (2.88 Å) and two longer (2.93 Å) K–N bond lengths. Both K–O bond lengths are 2.91 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to two N3- and two equivalent O2- atoms. There are one shorter (2.83 Å) and one longer (2.85 Å) K–N bond lengths. There are one shorter (2.85 Å) and one longer (2.90 Å) K–O bond lengths. Re5+ is bonded in a linear geometry to two equivalent O2- atoms. Both Re–O bond lengths are 1.81 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two K1+ and one C2+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two K1+ and one C2+ atom. O2- is bonded in a distorted single-bond geometry to three K1+ and one Re5+ atom.