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Cu2Se is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.51 Å. Se2- is bonded in a body-centered cubic geometry to eight equivalent Cu1+ atoms.
CuSe2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Cu3+ is bonded to six equivalent Se+1.50- atoms to form CuSe6 octahedra that share corners with eight equivalent CuSe6 octahedra, corners with six equivalent SeCu3Se tetrahedra, and edges with two equivalent CuSe6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are four shorter (2.57 Å) and two longer (2.58 Å) Cu–Se bond lengths. Se+1.50- is bonded to three equivalent Cu3+ and one Se+1.50- atom to form distorted SeCu3Se tetrahedra that share corners with three equivalent CuSe6 octahedra, corners with thirteen equivalent SeCu3Se tetrahedra, and an edgeedge with one SeCu3Se tetrahedra. The corner-sharing octahedra tilt angles range from 71–75°. The Se–Se bond length is 2.37 Å.
Cu3Se2 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. there are two inequivalent Cu+1.33+ sites. In the first Cu+1.33+ site, Cu+1.33+ is bonded to four equivalent Se2- atoms to form a mixture of distorted edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.54 Å. In the second Cu+1.33+ site, Cu+1.33+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.43–2.48 Å. Se2- is bonded in a 6-coordinate geometry to six Cu+1.33+ atoms.
Cu2Se crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 10-coordinate geometry to four equivalent Cu1+ and six equivalent Se2- atoms. All Cu–Cu bond lengths are 2.50 Å. All Cu–Se bond lengths are 2.89 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent Cu1+ and four equivalent Se2- atoms to form edge-sharing CuCu4Se4 tetrahedra. All Cu–Se bond lengths are 2.50 Å. Se2- is bonded in a 4-coordinate geometry to ten Cu1+ atoms.
CuSe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cu3+ is bonded to six equivalent Se+1.50- atoms to form CuSe6 octahedra that share corners with twelve equivalent CuSe6 octahedra and corners with six equivalent SeCu3Se tetrahedra. The corner-sharing octahedral tilt angles are 65°. All Cu–Se bond lengths are 2.58 Å. Se+1.50- is bonded to three equivalent Cu3+ and one Se+1.50- atom to form distorted SeCu3Se tetrahedra that share corners with three equivalent CuSe6 octahedra and corners with fifteen equivalent SeCu3Se tetrahedra. The corner-sharing octahedral tilt angles are 77°. The Se–Se bond length is 2.38 Å.
Cu13Se8 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Cu+1.23+ sites. In the first Cu+1.23+ site, Cu+1.23+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. There are two shorter (2.46 Å) and two longer (2.51 Å) Cu–Se bond lengths. In the second Cu+1.23+ site, Cu+1.23+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. There are two shorter (2.45 Å) and two longer (2.49 Å) Cu–Se bond lengths. In the third Cu+1.23+ site, Cu+1.23+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.52 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to seven Cu+1.23+ atoms to form a mixture of distorted edge and corner-sharing SeCu7 hexagonal pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Cu+1.23+ atoms.
CuSe is Covellite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a trigonal planar geometry to three equivalent Se2- atoms. All Cu–Se bond lengths are 2.32 Å. In the second Cu2+ site, Cu2+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with three equivalent SeCu3Se tetrahedra and corners with seven equivalent CuSe4 tetrahedra. There are three shorter (2.42 Å) and one longer (2.49 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Cu2+ and one Se2- atom to form distorted SeCu3Se tetrahedra that share corners with three equivalent CuSe4 tetrahedra, corners with six equivalent SeCu3Se tetrahedra, and corners with three equivalent SeCu5 trigonal bipyramids. The Se–Se bond length is 2.43 Å. In the second Se2- site, Se2- is bonded to five Cu2+ atoms to form SeCu5 trigonal bipyramids that share corners with six equivalent SeCu3Se tetrahedra and corners with six equivalent SeCu5 trigonal bipyramids.
CuSe crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of six CuSe sheets oriented in the (0, 0, 1) direction. Cu2+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All Cu–Se bond lengths are 2.44 Å. Se2- is bonded in a trigonal non-coplanar geometry to three equivalent Cu2+ atoms.
CuSe is Covellite structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with three equivalent SeCu3Se tetrahedra and corners with seven equivalent CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.41–2.49 Å. In the second Cu2+ site, Cu2+ is bonded in a trigonal planar geometry to three equivalent Se2- atoms. All Cu–Se bond lengths are 2.32 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Cu2+ atoms to form SeCu5 trigonal bipyramids that share corners with six equivalent SeCu3Se tetrahedra and corners with six equivalent SeCu5 trigonal bipyramids. In the second Se2- site, Se2- is bonded to three equivalent Cu2+ and one Se2- atom to form distorted SeCu3Se tetrahedra that share corners with three equivalent CuSe4 tetrahedra, corners with six equivalent SeCu3Se tetrahedra, and corners with three equivalent SeCu5 trigonal bipyramids. The Se–Se bond length is 2.43 Å.
CuSe is lead oxide structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CuSe sheet oriented in the (0, 0, 1) direction. Cu2+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Cu2+ atoms.
CuSe crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of six CuSe sheets oriented in the (0, 0, 1) direction. Cu2+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All Cu–Se bond lengths are 2.44 Å. Se2- is bonded in a trigonal non-coplanar geometry to three equivalent Cu2+ atoms.
Cu2Se crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are eight inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to one Cu1+ and four Se2- atoms. The Cu–Cu bond length is 2.44 Å. There are a spread of Cu–Se bond distances ranging from 2.48–2.65 Å. In the second Cu1+ site, Cu1+ is bonded to four Se2- atoms to form distorted corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.39–2.65 Å. In the third Cu1+ site, Cu1+ is bonded to four Se2- atoms to form distorted corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.39–2.68 Å. In the fourth Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three Se2- atoms. There are one shorter (2.39 Å) and two longer (2.42 Å) Cu–Se bond lengths. In the fifth Cu1+ site, Cu1+ is bonded to two equivalent Cu1+ and four Se2- atoms to form distorted CuCu2Se4 tetrahedra that share corners with seven CuSe4 tetrahedra and edges with two equivalent CuCu2Se4 tetrahedra. Both Cu–Cu bond lengths are 2.50 Å. There are a spread of Cu–Se bond distances ranging from 2.45–2.60 Å. In the sixth Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three Se2- atoms. There are one shorter (2.40 Å) and two longer (2.41 Å) Cu–Se bond lengths. In the seventh Cu1+ site, Cu1+ is bonded in a 9-coordinate geometry to three Cu1+ and six Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.86–3.01 Å. In the eighth Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three Se2- atoms. There are one shorter (2.41 Å) and two longer (2.43 Å) Cu–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to eight Cu1+ atoms. In the second Se2- site, Se2- is bonded to seven Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeCu7 hexagonal pyramids. In the third Se2- site, Se2- is bonded in a 7-coordinate geometry to seven Cu1+ atoms. In the fourth Se2- site, Se2- is bonded in a 6-coordinate geometry to nine Cu1+ atoms.
Cu17Se10 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are seventeen inequivalent Cu+1.18+ sites. In the first Cu+1.18+ site, Cu+1.18+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with fifteen CuSe4 tetrahedra and edges with three equivalent CuCu3Se4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.47 Å) Cu–Se bond lengths. In the second Cu+1.18+ site, Cu+1.18+ is bonded to four Se2- atoms to form corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.39–2.58 Å. In the third Cu+1.18+ site, Cu+1.18+ is bonded to four Se2- atoms to form a mixture of distorted edge and corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.42–2.80 Å. In the fourth Cu+1.18+ site, Cu+1.18+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.46–2.55 Å. In the fifth Cu+1.18+ site, Cu+1.18+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.41–2.49 Å. In the sixth Cu+1.18+ site, Cu+1.18+ is bonded to four Se2- atoms to form a mixture of distorted edge and corner-sharing CuSe4 trigonal pyramids. There are a spread of Cu–Se bond distances ranging from 2.38–2.95 Å. In the seventh Cu+1.18+ site, Cu+1.18+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.46–2.62 Å. In the eighth Cu+1.18+ site, Cu+1.18+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.50–2.53 Å. In the ninth Cu+1.18+ site, Cu+1.18+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.36–2.56 Å. In the tenth Cu+1.18+ site, Cu+1.18+ is bonded to four Se2- atoms to form corner-sharing CuSe4 trigonal pyramids. There are a spread of Cu–Se bond distances ranging from 2.37–2.58 Å. In the eleventh Cu+1.18+ site, Cu+1.18+ is bonded to four Se2- atoms to form a mixture of distorted edge and corner-sharing CuSe4 tetrahedra. There are three shorter (2.41 Å) and one longer (2.87 Å) Cu–Se bond lengths. In the twelfth Cu+1.18+ site, Cu+1.18+ is bonded in a 3-coordinate geometry to three equivalent Cu+1.18+ and four Se2- atoms. There are two shorter (2.47 Å) and one longer (2.48 Å) Cu–Cu bond lengths. There are a spread of Cu–Se bond distances ranging from 2.46–2.95 Å. In the thirteenth Cu+1.18+ site, Cu+1.18+ is bonded in a 12-coordinate geometry to six Cu+1.18+ and six Se2- atoms. All Cu–Cu bond lengths are 2.60 Å. There are a spread of Cu–Se bond distances ranging from 2.77–3.23 Å. In the fourteenth Cu+1.18+ site, Cu+1.18+ is bonded to three equivalent Cu+1.18+ and four Se2- atoms to form distorted CuCu3Se4 tetrahedra that share corners with nine CuSe4 tetrahedra, edges with nine CuCu3Se4 tetrahedra, and faces with three equivalent CuCu3Se4 tetrahedra. There are two shorter (2.47 Å) and one longer (2.49 Å) Cu–Cu bond lengths. There are a spread of Cu–Se bond distances ranging from 2.55–2.65 Å. In the fifteenth Cu+1.18+ site, Cu+1.18+ is bonded in a 12-coordinate geometry to six Cu+1.18+ and six Se2- atoms. There are two shorter (2.51 Å) and one longer (2.55 Å) Cu–Cu bond lengths. There are a spread of Cu–Se bond distances ranging from 2.95–3.06 Å. In the sixteenth Cu+1.18+ site, Cu+1.18+ is bonded to three equivalent Cu+1.18+ and four Se2- atoms to form CuCu3Se4 tetrahedra that share corners with six CuCu3Se4 tetrahedra, a cornercorner with one CuSe4 trigonal pyramid, and edges with nine CuCu3Se4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.56–2.61 Å. In the seventeenth Cu+1.18+ site, Cu+1.18+ is bonded to three equivalent Cu+1.18+ and four Se2- atoms to form distorted CuCu3Se4 tetrahedra that share corners with nine CuSe4 tetrahedra, edges with nine CuCu3Se4 tetrahedra, and faces with three equivalent CuCu3Se4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.53–2.69 Å. There are ten inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 7-coordinate geometry to ten Cu+1.18+ atoms. In the second Se2- site, Se2- is bonded to four Cu+1.18+ atoms to form SeCu4 tetrahedra that share corners with six equivalent SeCu4 tetrahedra and corners with three equivalent SeCu5 trigonal bipyramids. In the third Se2- site, Se2- is bonded in a distorted body-centered cubic geometry to eight Cu+1.18+ atoms. In the fourth Se2- site, Se2- is bonded to five Cu+1.18+ atoms to form distorted SeCu5 trigonal bipyramids that share corners with three equivalent SeCu4 tetrahedra and corners with six equivalent SeCu5 trigonal bipyramids. In the fifth Se2- site, Se2- is bonded to five Cu+1.18+ atoms to form distorted corner-sharing SeCu5 trigonal bipyramids. In the sixth Se2- site, Se2- is bonded in a 7-coordinate geometry to seven Cu+1.18+ atoms. In the seventh Se2- site, Se2- is bonded in a 7-coordinate geometry to seven Cu+1.18+ atoms. In the eighth Se2- site, Se2- is bonded to four Cu+1.18+ atoms to form corner-sharing SeCu4 trigonal pyramids. In the ninth Se2- site, Se2- is bonded in a 8-coordinate geometry to fourteen Cu+1.18+ atoms. In the tenth Se2- site, Se2- is bonded in a 8-coordinate geometry to eight Cu+1.18+ atoms.
Cu2Se crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three equivalent Se2- atoms. There are one shorter (2.41 Å) and two longer (2.45 Å) Cu–Se bond lengths. In the second Cu1+ site, Cu1+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.43–2.56 Å. Se2- is bonded in a 7-coordinate geometry to seven Cu1+ atoms.
Cu9Se5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are nine inequivalent Cu+1.11+ sites. In the first Cu+1.11+ site, Cu+1.11+ is bonded to four Se2- atoms to form distorted corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.43–2.61 Å. In the second Cu+1.11+ site, Cu+1.11+ is bonded to four Se2- atoms to form distorted corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.44–2.64 Å. In the third Cu+1.11+ site, Cu+1.11+ is bonded to four Se2- atoms to form distorted corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.49–2.70 Å. In the fourth Cu+1.11+ site, Cu+1.11+ is bonded in a trigonal planar geometry to three Se2- atoms. There are two shorter (2.39 Å) and one longer (2.41 Å) Cu–Se bond lengths. In the fifth Cu+1.11+ site, Cu+1.11+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are two shorter (2.40 Å) and one longer (2.41 Å) Cu–Se bond lengths. In the sixth Cu+1.11+ site, Cu+1.11+ is bonded to four Se2- atoms to form corner-sharing CuSe4 tetrahedra. There are three shorter (2.48 Å) and one longer (2.49 Å) Cu–Se bond lengths. In the seventh Cu+1.11+ site, Cu+1.11+ is bonded to four Se2- atoms to form distorted corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.49–2.66 Å. In the eighth Cu+1.11+ site, Cu+1.11+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are two shorter (2.41 Å) and one longer (2.43 Å) Cu–Se bond lengths. In the ninth Cu+1.11+ site, Cu+1.11+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.40–2.45 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted hexagonal pyramidal geometry to seven Cu+1.11+ atoms. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to six Cu+1.11+ atoms. In the third Se2- site, Se2- is bonded in a 7-coordinate geometry to seven Cu+1.11+ atoms. In the fourth Se2- site, Se2- is bonded in a 6-coordinate geometry to six Cu+1.11+ atoms. In the fifth Se2- site, Se2- is bonded in a 6-coordinate geometry to six Cu+1.11+ atoms.
Cu2Se crystallizes in the tetragonal P4_32_12 space group. The structure is three-dimensional. Cu1+ is bonded in a trigonal planar geometry to three equivalent Se2- atoms. There are one shorter (2.41 Å) and two longer (2.42 Å) Cu–Se bond lengths. Se2- is bonded to six equivalent Cu1+ atoms to form distorted corner-sharing SeCu6 pentagonal pyramids.
Cu2Se is Fluorite structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded in a distorted trigonal planar geometry to three equivalent Se2- atoms. There are one shorter (2.38 Å) and two longer (2.46 Å) Cu–Se bond lengths. Se2- is bonded in a 6-coordinate geometry to six equivalent Cu1+ atoms.
Cu9Se5 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are five inequivalent Cu+1.11+ sites. In the first Cu+1.11+ site, Cu+1.11+ is bonded to four Se2- atoms to form distorted corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.44–2.65 Å. In the second Cu+1.11+ site, Cu+1.11+ is bonded to four Se2- atoms to form distorted corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.50–2.70 Å. In the third Cu+1.11+ site, Cu+1.11+ is bonded in a trigonal planar geometry to three Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.40–2.43 Å. In the fourth Cu+1.11+ site, Cu+1.11+ is bonded to four Se2- atoms to form corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.49 Å. In the fifth Cu+1.11+ site, Cu+1.11+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are two shorter (2.42 Å) and one longer (2.46 Å) Cu–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 7-coordinate geometry to seven Cu+1.11+ atoms. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to six Cu+1.11+ atoms. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to six Cu+1.11+ atoms.