Results for “Ba-P-Pt” | Engineering Papers

DOE OSTI2020

Materials Data on BaPPt by Materials Project

BaPtP crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to four equivalent Pt and four equivalent P atoms. There are one shorter (3.34 Å) and three longer (3.53 Å) Ba–Pt bond lengths. There are one shorter (3.17 Å) and three longer (3.31 Å) Ba–P bond lengths. Pt is bonded in a 4-coordinate geometry to four equivalent Ba and three equivalent P atoms. All Pt–P bond lengths are 2.39 Å. P is bonded in a 7-coordinate geometry to four equivalent Ba and three equivalent Pt atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on BaP3Pt2 by Materials Project

BaPt2P3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 1-coordinate geometry to one Pt2- atom. The Ba–Pt bond length is 3.39 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted square co-planar geometry to four P+0.67+ atoms. There are two shorter (2.34 Å) and two longer (2.38 Å) Pt–P bond lengths. In the second Pt2- site, Pt2- is bonded in a distorted octahedral geometry to two equivalent Ba2+ and four P+0.67+ atoms. There are two shorter (2.37 Å) and two longer (2.46 Å) Pt–P bond lengths. In the third Pt2- site, Pt2- is bonded in a 4-coordinate geometry to four P+0.67+ atoms. There are a spread of Pt–P bond distances ranging from 2.33–2.35 Å. There are three inequivalent P+0.67+ sites. In the first P+0.67+ site, P+0.67+ is bonded in a trigonal planar geometry to three Pt2- atoms. In the second P+0.67+ site, P+0.67+ is bonded in a bent 120 degrees geometry to two Pt2- atoms. In the third P+0.67+ site, P+0.67+ is bonded in a trigonal planar geometry to three Pt2- atoms.

36 MATERIALS SCIENCE↗