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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb2CdO2 by Materials Project

Rb2CdO2 is Ilmenite-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are a spread of Rb–O bond distances ranging from 2.82–3.06 Å. Cd2+ is bonded to four equivalent O2- atoms to form distorted edge-sharing CdO4 trigonal pyramids. There are two shorter (2.23 Å) and two longer (2.33 Å) Cd–O bond lengths. O2- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbCdO3 by Materials Project

RbCdO3 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 CdO6 octahedra. All Rb–O bond lengths are 3.16 Å. Cd is bonded to six equivalent O atoms to form CdO6 octahedra that share corners with six equivalent CdO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–O bond lengths are 2.23 Å. O is bonded to four equivalent Rb and two equivalent Cd atoms to form a mixture of distorted face, edge, and corner-sharing ORb4Cd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Cd2O3 by Materials Project

Rb2Cd2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.83–3.33 Å. Cd2+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing CdO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.20–2.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent Rb1+ and three equivalent Cd2+ atoms. In the second O2- site, O2- is bonded to four equivalent Rb1+ and two equivalent Cd2+ atoms to form corner-sharing ORb4Cd2 octahedra. The corner-sharing octahedral tilt angles are 59°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb6CdO4 by Materials Project

Rb6CdO4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.28 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.81–3.07 Å. Cd2+ is bonded in a tetrahedral geometry to four O2- atoms. There are one shorter (2.24 Å) and three longer (2.33 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one Cd2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to seven Rb1+ and one Cd2+ atom.

36 MATERIALS SCIENCE↗