Materials Data on Tb5Br8 by Materials Project
Tb5Br8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 5-coordinate geometry to five Br atoms. There are four shorter (2.92 Å) and one longer (3.46 Å) Tb–Br bond lengths. In the second Tb site, Tb is bonded in a rectangular see-saw-like geometry to four Br atoms. There are two shorter (2.88 Å) and two longer (3.05 Å) Tb–Br bond lengths. In the third Tb site, Tb is bonded to six Br atoms to form edge-sharing TbBr6 octahedra. There are four shorter (2.85 Å) and two longer (2.86 Å) Tb–Br bond lengths. There are four inequivalent Br sites. In the first Br site, Br is bonded in a 3-coordinate geometry to three Tb atoms. In the second Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the third Br site, Br is bonded in a 2-coordinate geometry to three Tb atoms. In the fourth Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms.