Materials Data on CuS4N by Materials Project
(CuS4)2N2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of four ammonia molecules and two CuS4 ribbons oriented in the (1, 0, 0) direction. In each CuS4 ribbon, Cu3+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.27–2.35 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu3+ and one S2- atom. The S–S bond length is 2.04 Å. In the second S2- site, S2- is bonded in a 3-coordinate geometry to one Cu3+ and two S2- atoms. The S–S bond length is 2.18 Å. In the third S2- site, S2- is bonded in a distorted water-like geometry to two S2- atoms. The S–S bond length is 1.97 Å. In the fourth S2- site, S2- is bonded in a distorted water-like geometry to one Cu3+ and one S2- atom.