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CuAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu1+ is bonded in a 6-coordinate geometry to six equivalent As1- atoms. All Cu–As bond lengths are 2.56 Å. As1- is bonded in a 6-coordinate geometry to six equivalent Cu1+ atoms.
CuAs2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Cu1+ is bonded to six equivalent As+0.50- atoms to form CuAs6 octahedra that share corners with eight equivalent CuAs6 octahedra, corners with six equivalent AsCu3As tetrahedra, and edges with two equivalent CuAs6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are two shorter (2.44 Å) and four longer (2.49 Å) Cu–As bond lengths. As+0.50- is bonded to three equivalent Cu1+ and one As+0.50- atom to form distorted AsCu3As tetrahedra that share corners with three equivalent CuAs6 octahedra, corners with thirteen equivalent AsCu3As tetrahedra, and an edgeedge with one AsCu3As tetrahedra. The corner-sharing octahedra tilt angles range from 74–77°. The As–As bond length is 2.48 Å.
Cu5As2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Cu+1.20+ sites. In the first Cu+1.20+ site, Cu+1.20+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent As3- atoms. There are a spread of Cu–As bond distances ranging from 2.49–2.80 Å. In the second Cu+1.20+ site, Cu+1.20+ is bonded to four equivalent As3- atoms to form a mixture of distorted edge and corner-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.55 Å. In the third Cu+1.20+ site, Cu+1.20+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CuAs4 tetrahedra. There are a spread of Cu–As bond distances ranging from 2.53–2.62 Å. As3- is bonded in a 10-coordinate geometry to ten Cu+1.20+ atoms.
Cu3As4 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Cu3As4 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Cu+1.33+ sites. In the first Cu+1.33+ site, Cu+1.33+ is bonded in a 4-coordinate geometry to four As1- atoms. There are two shorter (2.44 Å) and two longer (2.51 Å) Cu–As bond lengths. In the second Cu+1.33+ site, Cu+1.33+ is bonded in a 6-coordinate geometry to six As1- atoms. There are two shorter (2.45 Å) and four longer (2.52 Å) Cu–As bond lengths. There are three inequivalent As1- sites. In the first As1- site, As1- is bonded in a 4-coordinate geometry to four Cu+1.33+ atoms. In the second As1- site, As1- is bonded in a 4-coordinate geometry to four equivalent Cu+1.33+ atoms. In the third As1- site, As1- is bonded in a distorted L-shaped geometry to two equivalent Cu+1.33+ atoms.
Cu3As crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. there are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.42 Å. In the second Cu1+ site, Cu1+ is bonded in a trigonal non-coplanar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.49 Å. In the third Cu1+ site, Cu1+ is bonded in a 3-coordinate geometry to three equivalent As3- atoms. There are a spread of Cu–As bond distances ranging from 2.47–2.64 Å. As3- is bonded in a 9-coordinate geometry to nine Cu1+ atoms.
Cu2As crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Cu+1.50+ sites. In the first Cu+1.50+ site, Cu+1.50+ is bonded to four equivalent As3- atoms to form distorted CuAs4 tetrahedra that share corners with twelve equivalent CuAs5 square pyramids, corners with four equivalent CuAs4 tetrahedra, edges with four equivalent CuAs5 square pyramids, and edges with four equivalent CuAs4 tetrahedra. All Cu–As bond lengths are 2.56 Å. In the second Cu+1.50+ site, Cu+1.50+ is bonded to five equivalent As3- atoms to form CuAs5 square pyramids that share corners with four equivalent CuAs5 square pyramids, corners with twelve equivalent CuAs4 tetrahedra, edges with eight equivalent CuAs5 square pyramids, and edges with four equivalent CuAs4 tetrahedra. There are one shorter (2.44 Å) and four longer (2.69 Å) Cu–As bond lengths. As3- is bonded in a 9-coordinate geometry to nine Cu+1.50+ atoms.
Cu3As crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. there are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to six equivalent As3- atoms to form distorted face-sharing CuAs6 octahedra. All Cu–As bond lengths are 2.85 Å. In the second Cu1+ site, Cu1+ is bonded in a trigonal non-coplanar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.55 Å. In the third Cu1+ site, Cu1+ is bonded in a 5-coordinate geometry to one Cu1+ and four equivalent As3- atoms. The Cu–Cu bond length is 2.46 Å. There are a spread of Cu–As bond distances ranging from 2.42–2.96 Å. As3- is bonded in a 12-coordinate geometry to twelve Cu1+ atoms.
Cu3As is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu1+ is bonded in a square co-planar geometry to four equivalent As3- atoms. All Cu–As bond lengths are 2.64 Å. As3- is bonded to twelve equivalent Cu1+ atoms to form a mixture of corner and face-sharing AsCu12 cuboctahedra.