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DOE OSTI2020

Materials Data on Ba(PIr)2 by Materials Project

BaIr2P2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to eight equivalent P atoms. All Ba–P bond lengths are 3.40 Å. Ir is bonded to four equivalent P atoms to form a mixture of distorted edge and corner-sharing IrP4 tetrahedra. All Ir–P bond lengths are 2.38 Å. P is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on BaPIr by Materials Project

BaIrP crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ba is bonded in a 2-coordinate geometry to four equivalent Ir and four equivalent P atoms. There are one shorter (3.14 Å) and three longer (3.42 Å) Ba–Ir bond lengths. There are one shorter (3.18 Å) and three longer (3.42 Å) Ba–P bond lengths. Ir is bonded in a 7-coordinate geometry to four equivalent Ba and three equivalent P atoms. All Ir–P bond lengths are 2.35 Å. P is bonded in a 7-coordinate geometry to four equivalent Ba and three equivalent Ir atoms.

36 MATERIALS SCIENCE↗