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Materials Data on Tb3SiBr3 by Materials Project

Tb3SiBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Tb is bonded to two equivalent Si and four equivalent Br atoms to form a mixture of edge and corner-sharing TbSi2Br4 octahedra. The corner-sharing octahedra tilt angles range from 4–7°. Both Tb–Si bond lengths are 2.77 Å. There are two shorter (2.98 Å) and two longer (3.07 Å) Tb–Br bond lengths. Si is bonded to six equivalent Tb atoms to form edge-sharing SiTb6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Tb atoms.

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