The material described by Cu17Se10 crystallizes in the monoclinic Cm space group. There are seventeen inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Cu(15), one Se(2), and three equivalent Se(1) atoms to form distorted CuCuSe4 tetrahedra that share corners with three equivalent Cu(2)Se4 tetrahedra and corners with six equivalent Cu(1)CuSe4 tetrahedra. In the second Cu site, Cu(2) is bonded to one Se(4) and three equivalent Se(2) atoms to form CuSe4 tetrahedra that share corners with three equivalent Cu(1)CuSe4 tetrahedra and corners with six equivalent Cu(2)Se4 tetrahedra. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one Se(3) and three equivalent Se(4) atoms. In the fourth Cu site, Cu(4) is bonded to one Se(6) and three equivalent Se(3) atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. In the fifth Cu site, Cu(5) is bonded to one Se(5) and three equivalent Se(6) atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. In the sixth Cu site, Cu(6) is bonded in a 4-coordinate geometry to one Se(4) and three equivalent Se(3) atoms. In the seventh Cu site, Cu(7) is bonded to one Se(7) and three equivalent Se(5) atoms to form distorted corner-sharing CuSe4 tetrahedra. In the eighth Cu site, Cu(8) is bonded to one Se(3) and three equivalent Se(6) atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. In the ninth Cu site, Cu(9) is bonded to one Se(8) and three equivalent Se(7) atoms to form corner-sharing CuSe4 tetrahedra. In the tenth Cu site, Cu(10) is bonded to one Se(10) and three equivalent Se(8) atoms to form corner-sharing CuSe4 trigonal pyramids. In the eleventh Cu site, Cu(11) is bonded in a 4-coordinate geometry to one Se(5) and three equivalent Se(7) atoms. In the twelfth Cu site, Cu(12) is bonded in a 3-coordinate geometry to three equivalent Cu(13), one Se(9), and three equivalent Se(10) atoms. In the thirteenth Cu site, Cu(13) is bonded in a 9-coordinate geometry to three equivalent Cu(12), three equivalent Cu(16), and three equivalent Se(10) atoms. In the fourteenth Cu site, Cu(14) is bonded in a 7-coordinate geometry to three equivalent Cu(15), one Se(1), and three equivalent Se(9) atoms. In the fifteenth Cu site, Cu(15) is bonded in a 14-coordinate geometry to one Cu(1), one Cu(16), three equivalent Cu(14), three equivalent Cu(17), three equivalent Se(1), and three equivalent Se(9) atoms. In the sixteenth Cu site, Cu(16) is bonded in a 4-coordinate geometry to one Cu(15), three equivalent Cu(13), one Se(10), and three equivalent Se(9) atoms. In the seventeenth Cu site, Cu(17) is bonded in a 4-coordinate geometry to three equivalent Cu(15), one Se(9), and three equivalent Se(1) atoms. There are ten inequivalent Se sites. In the first Se site, Se(1) is bonded in a 7-coordinate geometry to one Cu(14), three equivalent Cu(1), three equivalent Cu(15), and three equivalent Cu(17) atoms. In the second Se site, Se(2) is bonded to one Cu(1) and three equivalent Cu(2) atoms to form SeCu4 tetrahedra that share corners with six equivalent Se(2)Cu4 tetrahedra and corners with three equivalent Se(4)Cu5 trigonal bipyramids. In the third Se site, Se(3) is bonded in a distorted body-centered cubic geometry to one Cu(3), one Cu(8), three equivalent Cu(4), and three equivalent Cu(6) atoms. In the fourth Se site, Se(4) is bonded to one Cu(2), one Cu(6), and three equivalent Cu(3) atoms to form distorted SeCu5 trigonal bipyramids that share corners with three equivalent Se(2)Cu4 tetrahedra and corners with six equivalent Se(4)Cu5 trigonal bipyramids. In the fifth Se site, Se(5) is bonded to one Cu(11), one Cu(5), and three equivalent Cu(7) atoms to form distorted corner-sharing SeCu5 trigonal bipyramids. In the sixth Se site, Se(6) is bonded in a 7-coordinate geometry to one Cu(4), three equivalent Cu(5), and three equivalent Cu(8) atoms. In the seventh Se site, Se(7) is bonded in a 7-coordinate geometry to one Cu(7), three equivalent Cu(11), and three equivalent Cu(9) atoms. In the eighth Se site, Se(8) is bonded to one Cu(9) and three equivalent Cu(10) atoms to form corner-sharing SeCu4 trigonal pyramids. In the ninth Se site, Se(9) is bonded in a 11-coordinate geometry to one Cu(12), one Cu(17), three equivalent Cu(14), three equivalent Cu(15), and three equivalent Cu(16) atoms. In the tenth Se site, Se(10) is bonded in a 8-coordinate geometry to one Cu(10), one Cu(16), three equivalent Cu(12), and three equivalent Cu(13) atoms. is represented by the CIF card [CIF]
data_Cu17Se10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.085
_cell_length_b   4.085
_cell_length_c   33.059
_cell_angle_alpha   86.307
_cell_angle_beta   86.307
_cell_angle_gamma   59.868
_symmetry_Int_Tables_number   1
_cell_volume   475.686
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cu  Cu0  1  0.316  0.316  0.035  1.0
  Cu  Cu1  1  0.626  0.626  0.121  1.0
  Cu  Cu2  1  0.937  0.937  0.217  1.0
  Cu  Cu3  1  0.212  0.212  0.330  1.0
  Cu  Cu4  1  0.524  0.524  0.428  1.0
  Cu  Cu5  1  0.518  0.518  0.270  1.0
  Cu  Cu6  1  0.838  0.838  0.523  1.0
  Cu  Cu7  1  0.874  0.874  0.378  1.0
  Cu  Cu8  1  0.109  0.109  0.630  1.0
  Cu  Cu9  1  0.432  0.432  0.712  1.0
  Cu  Cu10  1  0.422  0.422  0.573  1.0
  Cu  Cu11  1  0.720  0.720  0.812  1.0
  Cu  Cu12  1  0.045  0.045  0.835  1.0
  Cu  Cu13  1  0.006  0.006  0.932  1.0
  Cu  Cu14  1  0.332  0.332  0.955  1.0
  Cu  Cu15  1  0.367  0.367  0.868  1.0
  Cu  Cu16  1  0.659  0.659  0.983  1.0
  Se  Se17  1  0.991  0.991  0.013  1.0
  Se  Se18  1  0.296  0.296  0.107  1.0
  Se  Se19  1  0.896  0.896  0.302  1.0
  Se  Se20  1  0.609  0.609  0.199  1.0
  Se  Se21  1  0.512  0.512  0.501  1.0
  Se  Se22  1  0.201  0.201  0.404  1.0
  Se  Se23  1  0.793  0.793  0.602  1.0
  Se  Se24  1  0.100  0.100  0.702  1.0
  Se  Se25  1  0.687  0.687  0.901  1.0
  Se  Se26  1  0.392  0.392  0.790  1.0
[/CIF]
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The material described by Cu17Se10 crystallizes in the monoclinic Cm space group. There are seventeen inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Cu(15), one Se(2), and three equivalent Se(1) atoms to form distorted CuCuSe4 tetrahedra that share corners with three equivalent Cu(2)Se4 tetrahedra and corners with six equivalent Cu(1)CuSe4 tetrahedra. In the second Cu site, Cu(2) is bonded to one Se(4) and three equivalent Se(2) atoms to form CuSe4 tetrahedra that share corners with three equivalent Cu(1)CuSe4 tetrahedra and corners with six equivalent Cu(2)Se4 tetrahedra. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one Se(3) and three equivalent Se(4) atoms. In the fourth Cu site, Cu(4) is bonded to one Se(6) and three equivalent Se(3) atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. In the fifth Cu site, Cu(5) is bonded to one Se(5) and three equivalent Se(6) atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. In the sixth Cu site, Cu(6) is bonded in a 4-coordinate geometry to one Se(4) and three equivalent Se(3) atoms. In the seventh Cu site, Cu(7) is bonded to one Se(7) and three equivalent Se(5) atoms to form distorted corner-sharing CuSe4 tetrahedra. In the eighth Cu site, Cu(8) is bonded to one Se(3) and three equivalent Se(6) atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. In the ninth Cu site, Cu(9) is bonded to one Se(8) and three equivalent Se(7) atoms to form corner-sharing CuSe4 tetrahedra. In the tenth Cu site, Cu(10) is bonded to one Se(10) and three equivalent Se(8) atoms to form corner-sharing CuSe4 trigonal pyramids. In the eleventh Cu site, Cu(11) is bonded in a 4-coordinate geometry to one Se(5) and three equivalent Se(7) atoms. In the twelfth Cu site, Cu(12) is bonded in a 3-coordinate geometry to three equivalent Cu(13), one Se(9), and three equivalent Se(10) atoms. In the thirteenth Cu site, Cu(13) is bonded in a 9-coordinate geometry to three equivalent Cu(12), three equivalent Cu(16), and three equivalent Se(10) atoms. In the fourteenth Cu site, Cu(14) is bonded in a 7-coordinate geometry to three equivalent Cu(15), one Se(1), and three equivalent Se(9) atoms. In the fifteenth Cu site, Cu(15) is bonded in a 14-coordinate geometry to one Cu(1), one Cu(16), three equivalent Cu(14), three equivalent Cu(17), three equivalent Se(1), and three equivalent Se(9) atoms. In the sixteenth Cu site, Cu(16) is bonded in a 4-coordinate geometry to one Cu(15), three equivalent Cu(13), one Se(10), and three equivalent Se(9) atoms. In the seventeenth Cu site, Cu(17) is bonded in a 4-coordinate geometry to three equivalent Cu(15), one Se(9), and three equivalent Se(1) atoms. There are ten inequivalent Se sites. In the first Se site, Se(1) is bonded in a 7-coordinate geometry to one Cu(14), three equivalent Cu(1), three equivalent Cu(15), and three equivalent Cu(17) atoms. In the second Se site, Se(2) is bonded to one Cu(1) and three equivalent Cu(2) atoms to form SeCu4 tetrahedra that share corners with six equivalent Se(2)Cu4 tetrahedra and corners with three equivalent Se(4)Cu5 trigonal bipyramids. In the third Se site, Se(3) is bonded in a distorted body-centered cubic geometry to one Cu(3), one Cu(8), three equivalent Cu(4), and three equivalent Cu(6) atoms. In the fourth Se site, Se(4) is bonded to one Cu(2), one Cu(6), and three equivalent Cu(3) atoms to form distorted SeCu5 trigonal bipyramids that share corners with three equivalent Se(2)Cu4 tetrahedra and corners with six equivalent Se(4)Cu5 trigonal bipyramids. In the fifth Se site, Se(5) is bonded to one Cu(11), one Cu(5), and three equivalent Cu(7) atoms to form distorted corner-sharing SeCu5 trigonal bipyramids. In the sixth Se site, Se(6) is bonded in a 7-coordinate geometry to one Cu(4), three equivalent Cu(5), and three equivalent Cu(8) atoms. In the seventh Se site, Se(7) is bonded in a 7-coordinate geometry to one Cu(7), three equivalent Cu(11), and three equivalent Cu(9) atoms. In the eighth Se site, Se(8) is bonded to one Cu(9) and three equivalent Cu(10) atoms to form corner-sharing SeCu4 trigonal pyramids. In the ninth Se site, Se(9) is bonded in a 11-coordinate geometry to one Cu(12), one Cu(17), three equivalent Cu(14), three equivalent Cu(15), and three equivalent Cu(16) atoms. In the tenth Se site, Se(10) is bonded in a 8-coordinate geometry to one Cu(10), one Cu(16), three equivalent Cu(12), and three equivalent Cu(13) atoms. is represented by the CIF card [CIF]
data_Cu17Se10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.085
_cell_length_b   4.085
_cell_length_c   33.059
_cell_angle_alpha   86.307
_cell_angle_beta   86.307
_cell_angle_gamma   59.868
_symmetry_Int_Tables_number   1
_cell_volume   475.686
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cu  Cu0  1  0.316  0.316  0.035  1.0
  Cu  Cu1  1  0.626  0.626  0.121  1.0
  Cu  Cu2  1  0.937  0.937  0.217  1.0
  Cu  Cu3  1  0.212  0.212  0.330  1.0
  Cu  Cu4  1  0.524  0.524  0.428  1.0
  Cu  Cu5  1  0.518  0.518  0.270  1.0
  Cu  Cu6  1  0.838  0.838  0.523  1.0
  Cu  Cu7  1  0.874  0.874  0.378  1.0
  Cu  Cu8  1  0.109  0.109  0.630  1.0
  Cu  Cu9  1  0.432  0.432  0.712  1.0
  Cu  Cu10  1  0.422  0.422  0.573  1.0
  Cu  Cu11  1  0.720  0.720  0.812  1.0
  Cu  Cu12  1  0.045  0.045  0.835  1.0
  Cu  Cu13  1  0.006  0.006  0.932  1.0
  Cu  Cu14  1  0.332  0.332  0.955  1.0
  Cu  Cu15  1  0.367  0.367  0.868  1.0
  Cu  Cu16  1  0.659  0.659  0.983  1.0
  Se  Se17  1  0.991  0.991  0.013  1.0
  Se  Se18  1  0.296  0.296  0.107  1.0
  Se  Se19  1  0.896  0.896  0.302  1.0
  Se  Se20  1  0.609  0.609  0.199  1.0
  Se  Se21  1  0.512  0.512  0.501  1.0
  Se  Se22  1  0.201  0.201  0.404  1.0
  Se  Se23  1  0.793  0.793  0.602  1.0
  Se  Se24  1  0.100  0.100  0.702  1.0
  Se  Se25  1  0.687  0.687  0.901  1.0
  Se  Se26  1  0.392  0.392  0.790  1.0
[/CIF]
.