Materials Data on Ce2Ge4Pt7 by Materials Project

Abstract

Ce2Pt7Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to eleven Pt2- atoms. There are a spread of Ce–Pt bond distances ranging from 3.22–3.71 Å. In the second Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. There are a spread of Ce–Pt bond distances ranging from 3.08–3.28 Å. There are seven inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Ce3+ and four Ge2+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.45–2.83 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to two equivalent Ce3+ and three Ge2+ atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Pt–Ge bond lengths. In the third Pt2- site, Pt2- is bonded in a 6-coordinate geometry to three Ce3+ and four Ge2+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.46–2.61 Å. In the fourth Pt2- site, Pt2- is bonded to three equivalent Ce3+ and four Ge2+ atoms to form a mixture of distorted face and edge-sharing PtCe3Ge4 tetrahedra. There are one shorter (2.55 Å) and three longer (2.59 Å) Pt–Ge bond lengths. In the fifth Pt2- site, Pt2- is bonded in a 3-coordinate geometry to two Ce3+ and three Ge2+ atoms. There are one shorter (2.46 Å) and two longer (2.66 Å) Pt–Ge bond lengths. In the sixth Pt2- site, Pt2- is bonded in a 2-coordinate geometry to three equivalent Ce3+ and four Ge2+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.43–2.81 Å. In the seventh Pt2- site, Pt2- is bonded in a 3-coordinate geometry to three Ce3+ and three Ge2+ atoms. There are one shorter (2.45 Å) and two longer (2.58 Å) Pt–Ge bond lengths. There are four inequivalent Ge2+ sites. In the first Ge2+ site, Ge2+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the second Ge2+ site, Ge2+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the third Ge2+ site, Ge2+ is bonded in a 5-coordinate geometry to five Pt2- atoms. In the fourth Ge2+ site, Ge2+ is bonded in a 7-coordinate geometry to seven Pt2- atoms.