Materials Data on CrCo3C16NO14 by Materials Project

Abstract

CrCo3C16NO14 is gamma plutonium-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two CrCo3C16NO14 clusters. Cr3+ is bonded in an octahedral geometry to six C+1.38+ atoms. There are a spread of Cr–C bond distances ranging from 1.90–1.95 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a 4-coordinate geometry to four C+1.38+ atoms. There are a spread of Co–C bond distances ranging from 1.76–1.91 Å. In the second Co2+ site, Co2+ is bonded in a 4-coordinate geometry to four C+1.38+ atoms. There are a spread of Co–C bond distances ranging from 1.77–1.90 Å. There are eleven inequivalent C+1.38+ sites. In the first C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Cr3+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Cr3+ and one N3- atom. The C–N bond length is 1.19 Å. In the fourth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Cr3+ and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+1.38+ site, C+1.38+ is bonded in a distorted single-bond geometry to three Co2+ and one N3- atom. The C–N bond length is 1.34 Å. In the seventh C+1.38+ site, C+1.38+ is bonded in a distorted linear geometry to one Cr3+ and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Cr3+ and one O2- atom. The C–O bond length is 1.16 Å. In the tenth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the eleventh C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. N3- is bonded in a linear geometry to two C+1.38+ atoms. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom.