Materials Data on BPd3 by Materials Project
Pd3B is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pd3B sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a bent 150 degrees geometry to two equivalent B atoms. There are one shorter (2.17 Å) and one longer (2.22 Å) Pd–B bond lengths. In the second Pd site, Pd is bonded in a distorted water-like geometry to two equivalent B atoms. There are one shorter (2.18 Å) and one longer (2.20 Å) Pd–B bond lengths. B is bonded in a 6-coordinate geometry to six Pd atoms.
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