Materials Data on La3IrBr3 by Materials Project
La3IrBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. La is bonded to two equivalent Ir and four equivalent Br atoms to form a mixture of edge and corner-sharing LaIr2Br4 octahedra. The corner-sharing octahedra tilt angles range from 5–9°. Both La–Ir bond lengths are 2.88 Å. There are two shorter (3.16 Å) and two longer (3.27 Å) La–Br bond lengths. Ir is bonded to six equivalent La atoms to form edge-sharing IrLa6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent La atoms.
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