Materials Data on Tb3BBr3 by Materials Project
Tb3BBr3 is Corundum-derived structured and crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Tb is bonded to two equivalent B and four equivalent Br atoms to form a mixture of edge and corner-sharing TbB2Br4 octahedra. The corner-sharing octahedra tilt angles range from 7–11°. Both Tb–B bond lengths are 2.62 Å. There are two shorter (2.95 Å) and two longer (3.07 Å) Tb–Br bond lengths. B is bonded to six equivalent Tb atoms to form edge-sharing BTb6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Tb atoms.
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