Materials Data on Eu2MnP3Pt7 by Materials Project

Abstract

Eu2MnPt7P3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Eu+2.50+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. There are a spread of Eu–Pt bond distances ranging from 3.12–3.48 Å. Mn2+ is bonded to twelve Pt2- atoms to form MnPt12 cuboctahedra that share corners with four equivalent MnPt12 cuboctahedra, faces with four equivalent MnPt12 cuboctahedra, and faces with four equivalent PtMn4Pt8 cuboctahedra. There are a spread of Mn–Pt bond distances ranging from 2.82–2.90 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Eu+2.50+, two equivalent Mn2+, six Pt2-, and two equivalent P+2.33+ atoms. There are two shorter (2.82 Å) and four longer (2.90 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 Eu+2.50+, two equivalent Mn2+, six Pt2-, and two equivalent P+2.33+ atoms. Both Pt–Pt bond lengths are 2.84 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 Eu+2.50+ and three P+2.33+ atoms. All Pt–P bond lengths are 2.36 Å. In the fourth Pt2- site, Pt2- is bonded to four equivalent Mn2+ and eight Pt2- atoms to form distorted PtMn4Pt8 cuboctahedra that share corners with four equivalent PtMn4Pt8 cuboctahedra, faces with four equivalent MnPt12 cuboctahedra, and faces with four equivalent PtMn4Pt8 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.