Materials Data on Re4Ge7 by Materials Project

Abstract

Re4Ge7 is Magnesium tetraboride-like structured and crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are five inequivalent Re sites. In the first Re site, Re is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Re–Ge bond distances ranging from 2.51–3.04 Å. In the second Re site, Re is bonded in a 8-coordinate geometry to eight Ge atoms. All Re–Ge bond lengths are 2.63 Å. In the third Re site, Re is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Re–Ge bond distances ranging from 2.54–2.79 Å. In the fourth Re site, Re is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Re–Ge bond distances ranging from 2.58–2.70 Å. In the fifth Re site, Re is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Re–Ge bond distances ranging from 2.51–2.85 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to five Re and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.67–2.85 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Re and five Ge atoms. There are one shorter (2.80 Å) and two longer (2.98 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four Re atoms. In the fourth Ge site, Ge is bonded in a 4-coordinate geometry to five Re and two Ge atoms.