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DOE OSTI2020

Materials Data on KRbO by Materials Project

RbKO crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.95 Å) and two longer (2.96 Å) Rb–O bond lengths. K1+ is bonded in a linear geometry to two equivalent O2- atoms. Both K–O bond lengths are 2.55 Å. O2- is bonded to four equivalent Rb1+ and two equivalent K1+ atoms to form a mixture of distorted edge and corner-sharing OK2Rb4 octahedra. The corner-sharing octahedra tilt angles range from 11–25°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on KRbO by Materials Project

RbKO is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one RbKO sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded to four equivalent O2- atoms to form a mixture of edge and corner-sharing RbO4 tetrahedra. All Rb–O bond lengths are 2.86 Å. K1+ is bonded in a single-bond geometry to one O2- atom. The K–O bond length is 2.45 Å. O2- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one K1+ atom.

36 MATERIALS SCIENCE↗