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Materials Data on KU3 by Materials Project

KU3 is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 1-coordinate geometry to six U atoms. There are a spread of K–U bond distances ranging from 3.89–4.17 Å. There are three inequivalent U sites. In the first U site, U is bonded in a 8-coordinate geometry to two equivalent K and six U atoms. There are a spread of U–U bond distances ranging from 2.80–2.83 Å. In the second U site, U is bonded in a 8-coordinate geometry to two equivalent K and six U atoms. There are one shorter (2.80 Å) and two longer (2.82 Å) U–U bond lengths. In the third U site, U is bonded in a 8-coordinate geometry to two equivalent K and six U atoms.

36 MATERIALS SCIENCE↗

Low symmetry configurations of vacancy-oxygen complexes in irradiated silicon

Two new electron paramagnetic resonance (EPR) spectra, labeled KU2 and KU3, emerge as a result of annealing of γ-ray irradiated silicon crystals in the temperature range 360–560 °C. The EPR intensities of KU2 and KU3 increase in the upper range of the annealing temperature where the EPR peaks of the vacancy-oxygen complex (A-center) diminish. The angular dependence study shows that the EPR spectra of KU2 and KU3 resemble that of SL1, the excited triplet (spin S = 1) state of A-centers, but with slightly different g and D-tensors representing lowering in symmetries. Microscopic lattice distortions caused by capturing of extra interstitial oxygen atoms by the A-centers are proposed to be the source of lowering of the symmetries associated with KU2 and KU3.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗