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Materials Data on CuAgS by Materials Project

AgCuS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ag1+ is bonded in a bent 150 degrees geometry to two equivalent S2- atoms. There are one shorter (2.50 Å) and one longer (2.51 Å) Ag–S bond lengths. Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. There are two shorter (2.25 Å) and one longer (2.33 Å) Cu–S bond lengths. S2- is bonded in a 5-coordinate geometry to two equivalent Ag1+ and three equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on CuAg3S2 by Materials Project

Ag3CuS2 is Pb(Zr_(1-x)Ti_x)O3-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four equivalent S2- atoms. There are two shorter (2.58 Å) and two longer (2.99 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to six equivalent S2- atoms. There are two shorter (2.53 Å) and four longer (3.13 Å) Ag–S bond lengths. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.18 Å. S2- is bonded in a 4-coordinate geometry to seven Ag1+ and one Cu1+ atom.

36 MATERIALS SCIENCE↗

Materials Data on CuAg3S2 by Materials Project

Ag3CuS2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.59–3.21 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to six equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–3.21 Å. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.19 Å. S2- is bonded in a 1-coordinate geometry to seven Ag1+ and one Cu1+ atom.

36 MATERIALS SCIENCE↗

Materials Data on CuAgS by Materials Project

AgCuS crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ag–S bond lengths are 2.46 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. There are two shorter (2.27 Å) and one longer (2.30 Å) Cu–S bond lengths. S2- is bonded in a 5-coordinate geometry to two equivalent Ag1+ and three equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on CuAgS by Materials Project

AgCuS crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. There are one shorter (2.47 Å) and one longer (2.49 Å) Ag–S bond lengths. Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. There are two shorter (2.25 Å) and one longer (2.36 Å) Cu–S bond lengths. S2- is bonded in a 5-coordinate geometry to two equivalent Ag1+ and three equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on ErCu4Ag by Materials Project

ErCu4Ag crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Ag and twelve equivalent Cu atoms. All Er–Ag bond lengths are 3.08 Å. All Er–Cu bond lengths are 2.95 Å. Ag is bonded in a 4-coordinate geometry to four equivalent Er and twelve equivalent Cu atoms. All Ag–Cu bond lengths are 2.95 Å. Cu is bonded to three equivalent Er, three equivalent Ag, and six equivalent Cu atoms to form a mixture of edge, face, and corner-sharing CuEr3Cu6Ag3 cuboctahedra. There are three shorter (2.50 Å) and three longer (2.53 Å) Cu–Cu bond lengths.

36 MATERIALS SCIENCE↗