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Materials Data on PmBi3 by Materials Project

PmBi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pm is bonded to twelve Bi atoms to form a mixture of edge, face, and corner-sharing PmBi12 cuboctahedra. There are four shorter (3.34 Å) and eight longer (3.65 Å) Pm–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 12-coordinate geometry to four equivalent Pm and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.34 Å. In the second Bi site, Bi is bonded in a square co-planar geometry to four equivalent Pm atoms.

36 MATERIALS SCIENCE↗