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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Fe2SiO4 by Materials Project

Fe2SiO4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with six equivalent FeO6 octahedra. All Fe–O bond lengths are 2.17 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with twelve equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Si–O bond lengths are 1.67 Å. O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe2+ and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe2SiO4 by Materials Project

Fe2SiO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to six O2- atoms to form distorted FeO6 octahedra that share corners with six equivalent SiO6 octahedra, edges with two equivalent SiO6 octahedra, and edges with six FeO6 octahedra. The corner-sharing octahedra tilt angles range from 4–14°. There are two shorter (2.05 Å) and four longer (2.45 Å) Fe–O bond lengths. In the second Fe2+ site, Fe2+ is bonded to six O2- atoms to form distorted FeO6 octahedra that share edges with four equivalent SiO6 octahedra and edges with six FeO6 octahedra. There are two shorter (2.04 Å) and four longer (2.11 Å) Fe–O bond lengths. Si4+ is bonded to six O2- atoms to form SiO6 octahedra that share corners with six equivalent FeO6 octahedra, edges with two equivalent SiO6 octahedra, and edges with six FeO6 octahedra. The corner-sharing octahedra tilt angles range from 4–14°. There is two shorter (1.79 Å) and four longer (1.88 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Fe2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Fe2+ and two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗