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DOE OSTI2020

Materials Data on RbUO3 by Materials Project

RbUO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent O2- atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent UO6 octahedra. All Rb–O bond lengths are 3.08 Å. U5+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All U–O bond lengths are 2.18 Å. O2- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent U5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2U2O7 by Materials Project

Rb2U2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded to six O2- atoms to form RbO6 octahedra that share corners with six equivalent UO6 octahedra and edges with six equivalent RbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–57°. There are a spread of Rb–O bond distances ranging from 2.83–2.96 Å. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with five equivalent UO6 octahedra, corners with six equivalent RbO6 octahedra, and an edgeedge with one UO6 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. There are a spread of U–O bond distances ranging from 1.89–2.31 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Rb1+ and one U6+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent U6+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Rb1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2UO4 by Materials Project

Rb2UO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.11 Å. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.95 Å) and four longer (2.19 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five equivalent Rb1+ and one U6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent U6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2U2O5 by Materials Project

Rb2U2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. All Rb–O bond lengths are 3.08 Å. In the second Rb1+ site, Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share corners with four equivalent RbO12 cuboctahedra, faces with four equivalent RbO12 cuboctahedra, and faces with eight equivalent UO5 square pyramids. There are four shorter (3.09 Å) and eight longer (3.22 Å) Rb–O bond lengths. U4+ is bonded to five O2- atoms to form UO5 square pyramids that share corners with five equivalent UO5 square pyramids and faces with four equivalent RbO12 cuboctahedra. There are one shorter (2.17 Å) and four longer (2.19 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two equivalent U4+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent U4+ atoms.

36 MATERIALS SCIENCE↗