Materials Data on Co29Ge13O56 by Materials Project

Abstract

Co29Ge13O56 is Spinel-like structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are eleven inequivalent Co sites. In the first Co site, Co is bonded to six O atoms to form CoO6 octahedra that share a cornercorner with one CoO4 tetrahedra, corners with five GeO4 tetrahedra, and edges with six CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.00–2.13 Å. In the second Co site, Co is bonded to six O atoms to form CoO6 octahedra that share corners with six GeO4 tetrahedra and edges with six CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.09–2.13 Å. In the third Co site, Co is bonded to six O atoms to form CoO6 octahedra that share a cornercorner with one CoO4 tetrahedra, corners with five GeO4 tetrahedra, and edges with six CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.01–2.13 Å. In the fourth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share a cornercorner with one CoO4 tetrahedra, corners with five GeO4 tetrahedra, and edges with six CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.01–2.12 Å. In the fifth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share corners with six GeO4 tetrahedra and edges with six CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.10–2.12 Å. In the sixth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share corners with six GeO4 tetrahedra and edges with six CoO6 octahedra. There are one shorter (2.10 Å) and five longer (2.11 Å) Co–O bond lengths. In the seventh Co site, Co is bonded to six O atoms to form CoO6 octahedra that share corners with six GeO4 tetrahedra and edges with six CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.09–2.12 Å. In the eighth Co site, Co is bonded to four O atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–58°. There is one shorter (1.95 Å) and three longer (1.96 Å) Co–O bond length. In the ninth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share a cornercorner with one CoO4 tetrahedra, corners with five GeO4 tetrahedra, and edges with six CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.01–2.12 Å. In the tenth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share corners with six GeO4 tetrahedra and edges with six CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.10–2.12 Å. In the eleventh Co site, Co is bonded to six O atoms to form CoO6 octahedra that share corners with six GeO4 tetrahedra and edges with six CoO6 octahedra. There are three shorter (2.09 Å) and three longer (2.11 Å) Co–O bond lengths. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with twelve CoO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There is two shorter (1.80 Å) and two longer (1.81 Å) Ge–O bond length. In the second Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with twelve CoO6 octahedra. The corner-sharing octahedra tilt angles range from 53–55°. There is three shorter (1.80 Å) and one longer (1.81 Å) Ge–O bond length. In the third Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with twelve CoO6 octahedra. The corner-sharing octahedra tilt angles range from 53–55°. All Ge–O bond lengths are 1.80 Å. In the fourth Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with twelve CoO6 octahedra. The corner-sharing octahedra tilt angles range from 54–55°. All Ge–O bond lengths are 1.81 Å. In the fifth Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with twelve CoO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There is one shorter (1.80 Å) and three longer (1.81 Å) Ge–O bond length. There are twenty inequivalent O sites. In the first O site, O is bonded in a rectangular see-saw-like geometry to three Co and one Ge atom. In the second O site, O is bonded in a rectangular see-saw-like geometry to three Co and one Ge atom. In the third O site, O is bonded in a rectangular see-saw-like geometry to three Co and one Ge atom. In the fourth O site, O is bonded in a rectangular see-saw-like geometry to three Co and one Ge atom. In the fifth O site, O is bonded in a rectangular see-saw-like geometry to three Co and one Ge atom. In the sixth O site, O is bonded to four Co atoms to form distorted corner-sharing OCo4 trigonal pyramids. In the seventh O site, O is bonded in a rectangular see-saw-like geometry to three Co and one Ge atom. In the eighth O site, O is bonded in a rectangular see-saw-like geometry to three Co and one Ge atom. In the ninth O site, O is bonded in a rectangular see-saw-like geometry to three Co and one Ge atom. In the tenth O site, O is bonded in a rectangular see-saw-like geometry to three Co and one Ge atom. In the eleventh O site, O is bonded in a rectangular see-saw-like geometry to three Co and one Ge atom. In the twelfth O site, O is bonded to four Co atoms to form distorted corner-sharing OCo4 trigonal pyramids. In the thirteenth O site, O is bonded in a rectangular see-saw-like geometry to three Co and one Ge atom. In the fourteenth O site, O is bonded in a rectangular see-saw-like geometry to three Co and one Ge atom. In the fifteenth O site, O is bonded in a rectangular see-saw-like geometry to three Co and one Ge atom. In the sixteenth O site, O is bonded in a rectangular see-saw-like geometry to three Co and one Ge atom. In the seventeenth O site, O is bonded in a rectangular see-saw-like geometry to three Co and one Ge atom. In the eighteenth O site, O is bonded in a rectangular see-saw-like geometry to three equivalent Co and one Ge atom. In the nineteenth O site, O is bonded in a rectangular see-saw-like geometry to three Co and one Ge atom. In the twentieth O site, O is bonded in a rectangular see-saw-like geometry to three Co and one Ge atom.