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DOE OSTI2017

Materials Data on YBPt2 by Materials Project

YPt2B crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Y3+ is bonded to eight equivalent Pt and four equivalent B3- atoms to form a mixture of distorted edge, face, and corner-sharing YB4Pt8 cuboctahedra. There are four shorter (3.03 Å) and four longer (3.12 Å) Y–Pt bond lengths. All Y–B bond lengths are 2.99 Å. Pt is bonded in a distorted bent 120 degrees geometry to four equivalent Y3+ and two equivalent B3- atoms. Both Pt–B bond lengths are 2.10 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YBPt3 by Materials Project

YPt3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent Pt2- atoms to form YPt12 cuboctahedra that share corners with twelve equivalent YPt12 cuboctahedra, faces with six equivalent YPt12 cuboctahedra, and faces with eight equivalent BPt6 octahedra. All Y–Pt bond lengths are 3.07 Å. Pt2- is bonded to four equivalent Y3+ and two equivalent B3+ atoms to form a mixture of distorted corner, edge, and face-sharing PtY4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pt–B bond lengths are 2.17 Å. B3+ is bonded to six equivalent Pt2- atoms to form BPt6 octahedra that share corners with six equivalent BPt6 octahedra and faces with eight equivalent YPt12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗