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LuBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two LuBr3 ribbons oriented in the (0, 0, 1) direction. Lu3+ is bonded to six equivalent Br1- atoms to form distorted face-sharing LuBr6 pentagonal pyramids. All Lu–Br bond lengths are 2.77 Å. Br1- is bonded in an L-shaped geometry to two equivalent Lu3+ atoms.
LuBr crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Lu is bonded in a 4-coordinate geometry to four equivalent Br atoms. There are one shorter (2.83 Å) and three longer (2.96 Å) Lu–Br bond lengths. Br is bonded in a 4-coordinate geometry to four equivalent Lu atoms.