Materials Data on Ag7Te4 by Materials Project

Abstract

Ag7Te4 is Magnesium tetraboride-like structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are five inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to five Ag1+ and three Te+1.75- atoms. There are a spread of Ag–Ag bond distances ranging from 2.71–2.91 Å. There are one shorter (2.89 Å) and two longer (3.32 Å) Ag–Te bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to seven Ag1+ atoms. There are one shorter (2.67 Å) and six longer (3.14 Å) Ag–Ag bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four Ag1+ and three Te+1.75- atoms. Both Ag–Ag bond lengths are 3.19 Å. There are one shorter (2.84 Å) and two longer (3.03 Å) Ag–Te bond lengths. In the fourth Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four equivalent Te+1.75- atoms. Both Ag–Ag bond lengths are 2.84 Å. All Ag–Te bond lengths are 3.06 Å. In the fifth Ag1+ site, Ag1+ is bonded in a distorted square co-planar geometry to four equivalent Te+1.75- atoms. All Ag–Te bond lengths are 2.77 Å. There are three inequivalent Te+1.75- sites. In the first Te+1.75- site, Te+1.75- is bonded in a 1-coordinate geometry to seven Ag1+ and one Te+1.75- atom. The Te–Te bond length is 3.33 Å. In the second Te+1.75- site, Te+1.75- is bonded in a 6-coordinate geometry to two equivalent Ag1+ and four Te+1.75- atoms. Both Te–Te bond lengths are 2.85 Å. In the third Te+1.75- site, Te+1.75- is bonded in a 6-coordinate geometry to six equivalent Ag1+ atoms.