Materials Data on Eu2FeP3Pt7 by Materials Project

Abstract

Eu2FePt7P3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Eu2+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. There are a spread of Eu–Pt bond distances ranging from 3.10–3.46 Å. Fe3+ is bonded to twelve Pt2- atoms to form FePt12 cuboctahedra that share corners with four equivalent FePt12 cuboctahedra, faces with four equivalent FePt12 cuboctahedra, and faces with four equivalent PtFe4Pt8 cuboctahedra. There are eight shorter (2.79 Å) and four longer (2.89 Å) Fe–Pt bond lengths. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Eu2+, two equivalent Fe3+, six Pt2-, and two equivalent P+2.33+ atoms. There are two shorter (2.79 Å) and four longer (2.89 Å) Pt–Pt bond lengths. Both Pt–P bond lengths are 2.44 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Eu2+, two equivalent Fe3+, six Pt2-, and two equivalent P+2.33+ atoms. Both Pt–Pt bond lengths are 2.79 Å. Both Pt–P bond lengths are 2.43 Å. In the third Pt2- site, Pt2- is bonded in a 3-coordinate geometry to five equivalent Eu2+ and three P+2.33+ atoms. There are two shorter (2.35 Å) and one longer (2.36 Å) Pt–P bond lengths. In the fourth Pt2- site, Pt2- is bonded to four equivalent Fe3+ and eight Pt2- atoms to form PtFe4Pt8 cuboctahedra that share corners with four equivalent PtFe4Pt8 cuboctahedra, faces with four equivalent FePt12 cuboctahedra, and faces with four equivalent PtFe4Pt8 cuboctahedra. There are two inequivalent P+2.33+ sites. In the first P+2.33+ site, P+2.33+ is bonded in a 5-coordinate geometry to five Pt2- atoms. In the second P+2.33+ site, P+2.33+ is bonded to four equivalent Pt2- atoms to form corner-sharing PPt4 tetrahedra.