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DOE OSTI2020

Materials Data on K2Mg2O3 by Materials Project

K2Mg2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.62–2.79 Å. Mg2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing MgO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.98–2.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+ and two equivalent Mg2+ atoms to form distorted corner-sharing OK4Mg2 octahedra. The corner-sharing octahedral tilt angles are 64°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on K2Mg2O3 by Materials Project

K2Mg2O3 crystallizes in the tetragonal P4_32_12 space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.62–2.75 Å. Mg2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing MgO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.97–2.12 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three equivalent Mg2+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗