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Materials Data on PrB2Ru3 by Materials Project

PrRu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to two equivalent Pr, twelve equivalent Ru, and six equivalent B atoms. Both Pr–Pr bond lengths are 3.05 Å. All Pr–Ru bond lengths are 3.18 Å. All Pr–B bond lengths are 3.23 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Pr and four equivalent B atoms. All Ru–B bond lengths are 2.22 Å. B is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Ru atoms.

36 MATERIALS SCIENCE↗

Materials Data on Pr(BRu)2 by Materials Project

Pr(RuB)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to four equivalent Ru and six equivalent B atoms. All Pr–Ru bond lengths are 3.04 Å. There are two shorter (2.93 Å) and four longer (3.07 Å) Pr–B bond lengths. Ru is bonded in a 4-coordinate geometry to two equivalent Pr and four equivalent B atoms. There are two shorter (2.09 Å) and two longer (2.16 Å) Ru–B bond lengths. B is bonded in a 7-coordinate geometry to three equivalent Pr and four equivalent Ru atoms.

36 MATERIALS SCIENCE↗