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Materials Data on Y3BCl3 by Materials Project

Y3BCl3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Y is bonded to two equivalent B and four equivalent Cl atoms to form a mixture of edge and corner-sharing YB2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 5–8°. Both Y–B bond lengths are 2.57 Å. There are two shorter (2.82 Å) and two longer (2.92 Å) Y–Cl bond lengths. B is bonded to six equivalent Y atoms to form edge-sharing BY6 octahedra. Cl is bonded in a rectangular see-saw-like geometry to four equivalent Y atoms.

36 MATERIALS SCIENCE↗