AgCu2PS4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Ag(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form AgS4 tetrahedra that share corners with four equivalent P(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent P(1)S4 tetrahedra. P(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form PS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Ag(1), two equivalent Cu(1), and one P(1) atom to form corner-sharing SCu2AgP tetrahedra. In the second S site, S(2) is bonded to one Ag(1), two equivalent Cu(1), and one P(1) atom to form corner-sharing SCu2AgP trigonal pyramids. In the third S site, S(3) is bonded to one Ag(1), two equivalent Cu(1), and one P(1) atom to form corner-sharing SCu2AgP tetrahedra.
AgCu2PS4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Ag(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form AgS4 tetrahedra that share corners with four equivalent P(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. The Ag(1)-S(2) bond length is 2.54 Å. The Ag(1)-S(3) bond length is 2.52 Å. Both Ag(1)-S(1) bond lengths are 2.58 Å. Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent P(1)S4 tetrahedra. The Cu(1)-S(2) bond length is 2.29 Å. The Cu(1)-S(3) bond length is 2.30 Å. There is one shorter (2.30 Å) and one longer (2.34 Å) Cu(1)-S(1) bond length. P(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form PS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. The P(1)-S(2) bond length is 2.09 Å. The P(1)-S(3) bond length is 2.09 Å. Both P(1)-S(1) bond lengths are 2.09 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Ag(1), two equivalent Cu(1), and one P(1) atom to form corner-sharing SCu2AgP tetrahedra. In the second S site, S(2) is bonded to one Ag(1), two equivalent Cu(1), and one P(1) atom to form corner-sharing SCu2AgP trigonal pyramids. In the third S site, S(3) is bonded to one Ag(1), two equivalent Cu(1), and one P(1) atom to form corner-sharing SCu2AgP tetrahedra.