The structure of uranium tribromide by neutron diffraction profile analysis

Add time:07/14/2019    Source:sciencedirect.com

A neutron powder-diffraction analysis of uranium tribromide has been carried out with the profile-fitting technique and has confirmed that UBr3 is of the UCl3 structure type. The final value of R = ∑i(|Ioi − Ici|)/∑iIoi was 0.10, where Ioi is one of the 395 background-corrected measured intensities in the pattern. UBr3 is hexagonal, space group P63m(C6ith2)with a = 7.942(2) and c = 4.441(2) Å and Z = 2. The uranium atoms lie in positions 2(d), ± (23, 13, 14) and the bromine atoms in positions 6(h), ± (x, y, 14; −y, x − y, 14; y − x, x̄, 14) with x = 0.2996(4) and z = 0.3859(4). The configuration around the uranium atom is a tricapped trigonal prism, with U−Br (3×) = 3.145(3) Å (uranium to capping bromine atom) and U−Br (6×) = 3.062(2) Å (uranium to bromine at corner of trigonal prism).

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