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DOE OSTI2020

Materials Data on Li2BPt3 by Materials Project

Li2Pt3B crystallizes in the cubic P4_332 space group. The structure is three-dimensional and consists of eight lithium molecules and one Pt3B framework. In the Pt3B framework, Pt+0.33+ is bonded in a bent 150 degrees geometry to two equivalent B3- atoms. Both Pt–B bond lengths are 2.18 Å. B3- is bonded to six equivalent Pt+0.33+ atoms to form distorted corner-sharing BPt6 octahedra. The corner-sharing octahedral tilt angles are 31°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LiBPt3 by Materials Project

LiPt3B crystallizes in the hexagonal P-62m space group. The structure is one-dimensional and consists of three lithium molecules and three Pt3B ribbons oriented in the (0, 0, 1) direction. In each Pt3B ribbon, Pt+0.67+ is bonded in an L-shaped geometry to two equivalent B3- atoms. Both Pt–B bond lengths are 2.17 Å. B3- is bonded to six equivalent Pt+0.67+ atoms to form distorted face-sharing BPt6 pentagonal pyramids.

36 MATERIALS SCIENCE↗