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DOE OSTI2020

Materials Data on RbNaO by Materials Project

RbNaO is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Rb1+ is bonded in a 5-coordinate geometry to five equivalent O2- atoms. There are one shorter (2.98 Å) and four longer (3.11 Å) Rb–O bond lengths. Na1+ is bonded to four equivalent O2- atoms to form a mixture of corner and edge-sharing NaO4 tetrahedra. All Na–O bond lengths are 2.44 Å. O2- is bonded in a 9-coordinate geometry to five equivalent Rb1+ and four equivalent Na1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbNaO3 by Materials Project

RbNaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to twelve equivalent O atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent NaO6 octahedra. All Rb–O bond lengths are 3.20 Å. Na is bonded to six equivalent O atoms to form NaO6 octahedra that share corners with six equivalent NaO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–O bond lengths are 2.26 Å. O is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Na atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2NaO2 by Materials Project

Rb2NaO2 is alpha Niobium phosphide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Rb2NaO2 cluster. Rb is bonded in a single-bond geometry to one O atom. The Rb–O bond length is 2.35 Å. Na is bonded in a linear geometry to two equivalent O atoms. Both Na–O bond lengths are 2.18 Å. O is bonded in a linear geometry to one Rb and one Na atom.

36 MATERIALS SCIENCE↗