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Materials Data on KAuO2 by Materials Project

KAuO2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All K–O bond lengths are 2.91 Å. Au3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.05 Å. O2- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Au3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on K3AuO by Materials Project

K3AuO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded in a linear geometry to four equivalent Au1- and two equivalent O2- atoms. All K–Au bond lengths are 3.76 Å. Both K–O bond lengths are 2.66 Å. Au1- is bonded to twelve equivalent K1+ atoms to form AuK12 cuboctahedra that share corners with twelve equivalent AuK12 cuboctahedra, faces with six equivalent AuK12 cuboctahedra, and faces with eight equivalent OK6 octahedra. O2- is bonded to six equivalent K1+ atoms to form OK6 octahedra that share corners with six equivalent OK6 octahedra and faces with eight equivalent AuK12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on KAuO2 by Materials Project

KAuO2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are two shorter (2.71 Å) and four longer (2.91 Å) K–O bond lengths. Au3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.04 Å. O2- is bonded to three equivalent K1+ and two equivalent Au3+ atoms to form a mixture of edge, face, and corner-sharing OK3Au2 trigonal bipyramids.

36 MATERIALS SCIENCE↗

Materials Data on KAuO3 by Materials Project

KAuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent AuO6 octahedra. All K–O bond lengths are 2.94 Å. Au5+ is bonded to six equivalent O2- atoms to form AuO6 octahedra that share corners with six equivalent AuO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–O bond lengths are 2.08 Å. O2- is bonded to four equivalent K1+ and two equivalent Au5+ atoms to form a mixture of distorted face, edge, and corner-sharing OK4Au2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗

Materials Data on K(AuO2)2 by Materials Project

K(AuO2)2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. K1+ is bonded to eight equivalent O2- atoms to form distorted corner-sharing KO8 hexagonal bipyramids. All K–O bond lengths are 2.86 Å. Au+3.50+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.02 Å. O2- is bonded in a distorted see-saw-like geometry to two equivalent K1+ and two equivalent Au+3.50+ atoms.

36 MATERIALS SCIENCE↗