Materials Data on Pr3CBr3 by Materials Project
Pr3CBr3 is Ilmenite-like structured and crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent C and four equivalent Br atoms to form a mixture of distorted edge and corner-sharing PrC2Br4 octahedra. The corner-sharing octahedra tilt angles range from 7–12°. Both Pr–C bond lengths are 2.66 Å. There are two shorter (3.03 Å) and two longer (3.15 Å) Pr–Br bond lengths. C is bonded to six equivalent Pr atoms to form edge-sharing CPr6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.
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