Materials Data on FeCo3O8 by Materials Project

Abstract

FeCo3O8 is trigonal omega-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share edges with six CoO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.93–2.10 Å. In the second Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share edges with six CoO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.91–1.94 Å. In the third Fe site, Fe is bonded to six O atoms to form distorted FeO6 octahedra that share edges with six CoO6 octahedra. There are a spread of Fe–O bond distances ranging from 2.03–2.06 Å. In the fourth Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share edges with six CoO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.92–2.08 Å. There are twelve inequivalent Co sites. In the first Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.85–1.93 Å. In the second Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.87–1.93 Å. In the third Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.85–1.93 Å. In the fourth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.86–1.95 Å. In the fifth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.85–1.94 Å. In the sixth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.83–1.95 Å. In the seventh Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.85–1.94 Å. In the eighth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.84–1.94 Å. In the ninth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.86–1.94 Å. In the tenth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.87–1.93 Å. In the eleventh Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.87–1.93 Å. In the twelfth Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.85–1.94 Å. There are thirty-two inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the second O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the third O site, O is bonded in a distorted T-shaped geometry to three Co atoms. In the fourth O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the fifth O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the sixth O site, O is bonded in a distorted T-shaped geometry to three Co atoms. In the seventh O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the eighth O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the ninth O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the tenth O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the eleventh O site, O is bonded in a distorted T-shaped geometry to three Co atoms. In the twelfth O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the thirteenth O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the fourteenth O site, O is bonded in a distorted T-shaped geometry to three Co atoms. In the fifteenth O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the sixteenth O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the seventeenth O site, O is bonded in a 3-coordinate geometry to one Fe and two Co atoms. In the eighteenth O site, O is bonded in a 3-coordinate geometry to one Fe and two Co atoms. In the nineteenth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the twentieth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Fe and two Co atoms. In the twenty-first O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the twenty-second O site, O is bonded in a distorted T-shaped geometry to three Co atoms. In the twenty-third O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the twenty-fourth O site, O is bonded in a 3-coordinate geometry to one Fe and two Co atoms. In the twenty-fifth O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the twenty-sixth O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the twenty-seventh O site, O is bonded in a distorted T-shaped geometry to three Co atoms. In the twenty-eighth O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the twenty-ninth O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the thirtieth O site, O is bonded in a distorted T-shaped geometry to three Co atoms. In the thirty-first O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the thirty-second O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms.