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DOE OSTI2020

Materials Data on U(BO3)2 by Materials Project

UO2B2O4 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four pitchblend, uranium(iv) oxide, uranium(iv) dioxide, uranium dioxide molecules and four BO2 ribbons oriented in the (0, 1, 0) direction. In each BO2 ribbon, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.40 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on UBO3 by Materials Project

UBO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U3+ is bonded to twelve equivalent O2- atoms to form UO12 cuboctahedra that share corners with twelve equivalent UO12 cuboctahedra, faces with six equivalent UO12 cuboctahedra, and faces with eight equivalent BO6 octahedra. All U–O bond lengths are 2.54 Å. B3+ is bonded to six equivalent O2- atoms to form BO6 octahedra that share corners with six equivalent BO6 octahedra and faces with eight equivalent UO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.79 Å. O2- is bonded in a distorted linear geometry to four equivalent U3+ and two equivalent B3+ atoms.

36 MATERIALS SCIENCE↗