Materials Data on CuAgTe2 by Materials Project

Abstract

AgCuTe2 is Vulcanite-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is two-dimensional and consists of one AgCuTe2 sheet oriented in the (0, 0, 1) direction. Ag1+ is bonded in a 2-coordinate geometry to two equivalent Ag1+, four equivalent Cu2+, and four Te+1.50- atoms. Both Ag–Ag bond lengths are 3.15 Å. All Ag–Cu bond lengths are 2.81 Å. There are two shorter (2.76 Å) and two longer (2.95 Å) Ag–Te bond lengths. Cu2+ is bonded in a 2-coordinate geometry to four equivalent Ag1+ and four Te+1.50- atoms. There are two shorter (2.67 Å) and two longer (3.07 Å) Cu–Te bond lengths. There are two inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 2-coordinate geometry to two equivalent Ag1+, two equivalent Cu2+, and two equivalent Te+1.50- atoms. Both Te–Te bond lengths are 3.15 Å. In the second Te+1.50- site, Te+1.50- is bonded in a 2-coordinate geometry to two equivalent Ag1+, two equivalent Cu2+, and two equivalent Te+1.50- atoms. Both Te–Te bond lengths are 3.15 Å.