Materials Data on La3SiI3 by Materials Project
La3SiI3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. La+2.33+ is bonded to two equivalent Si4- and four equivalent I1- atoms to form a mixture of edge and corner-sharing LaSi2I4 octahedra. The corner-sharing octahedra tilt angles range from 5–10°. Both La–Si bond lengths are 2.98 Å. There are two shorter (3.31 Å) and two longer (3.39 Å) La–I bond lengths. Si4- is bonded to six equivalent La+2.33+ atoms to form edge-sharing SiLa6 octahedra. I1- is bonded in a distorted rectangular see-saw-like geometry to four equivalent La+2.33+ atoms.
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