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Materials Data on Na3Fe2(GeO4)3 by Materials Project

Na3Fe2(GeO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. There are four shorter (2.41 Å) and four longer (2.57 Å) Na–O bond lengths. Fe is bonded to six equivalent O atoms to form FeO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Fe–O bond lengths are 1.98 Å. Ge is bonded to four equivalent O atoms to form GeO4 tetrahedra that share corners with four equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Ge–O bond lengths are 1.78 Å. O is bonded to two equivalent Na, one Fe, and one Ge atom to form a mixture of distorted edge and corner-sharing ONa2FeGe trigonal pyramids.

36 MATERIALS SCIENCE↗

Materials Data on NaFe(GeO3)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗