Materials Data on La3AsBr3 by Materials Project
La3AsBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. La2+ is bonded to two equivalent As3- and four equivalent Br1- atoms to form a mixture of edge and corner-sharing LaAs2Br4 octahedra. The corner-sharing octahedra tilt angles range from 3–6°. Both La–As bond lengths are 2.94 Å. There are two shorter (3.12 Å) and two longer (3.17 Å) La–Br bond lengths. As3- is bonded to six equivalent La2+ atoms to form edge-sharing AsLa6 octahedra. Br1- is bonded in a rectangular see-saw-like geometry to four equivalent La2+ atoms.
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