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Materials Data on YbInBr3 by Materials Project

YbInBr3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb2+ is bonded to six Br1- atoms to form a mixture of edge and corner-sharing YbBr6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Yb–Br bond lengths are 2.91 Å. In1+ is bonded in a 6-coordinate geometry to six Br1- atoms. There are two shorter (3.30 Å) and four longer (3.48 Å) In–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Yb2+ and two equivalent In1+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Yb2+ and two equivalent In1+ atoms.

36 MATERIALS SCIENCE↗