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DOE OSTI2020

Materials Data on UBrN by Materials Project

UNBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one UNBr sheet oriented in the (0, 0, 1) direction. U4+ is bonded in a 4-coordinate geometry to four equivalent N3- and four equivalent Br1- atoms. All U–N bond lengths are 2.25 Å. All U–Br bond lengths are 3.24 Å. N3- is bonded to four equivalent U4+ atoms to form a mixture of edge and corner-sharing NU4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent U4+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on U2Br2N by Materials Project

U2NBr2 is Cyanogen Chloride-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one U2NBr2 cluster. U is bonded in a linear geometry to one N and one Br atom. The U–N bond length is 1.99 Å. The U–Br bond length is 2.64 Å. N is bonded in a linear geometry to two equivalent U atoms. Br is bonded in a single-bond geometry to one U atom.

36 MATERIALS SCIENCE↗