Materials Data on ErBPtRh2 by Materials Project

Abstract

ErRh2PtB is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er is bonded to eight equivalent Rh and four equivalent Pt atoms to form ErPt4Rh8 cuboctahedra that share corners with twelve equivalent ErPt4Rh8 cuboctahedra, faces with six equivalent ErPt4Rh8 cuboctahedra, and faces with eight equivalent BPt2Rh4 octahedra. All Er–Rh bond lengths are 2.98 Å. All Er–Pt bond lengths are 2.99 Å. Rh is bonded to four equivalent Er and two equivalent B atoms to form distorted RhEr4B2 octahedra that share corners with eight equivalent PtEr4B2 octahedra, corners with fourteen equivalent RhEr4B2 octahedra, edges with four equivalent RhEr4B2 octahedra, faces with four equivalent RhEr4B2 octahedra, and faces with four equivalent PtEr4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.12 Å. Pt is bonded to four equivalent Er and two equivalent B atoms to form distorted PtEr4B2 octahedra that share corners with six equivalent PtEr4B2 octahedra, corners with sixteen equivalent RhEr4B2 octahedra, edges with four equivalent PtEr4B2 octahedra, and faces with eight equivalent RhEr4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pt–B bond lengths are 2.10 Å. B is bonded to four equivalent Rh and two equivalent Pt atoms to form BPt2Rh4 octahedra that share corners with six equivalent BPt2Rh4 octahedra and faces with eight equivalent ErPt4Rh8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.