The compound described by Cu8GeSe6 crystallizes in the monoclinic Cc space group. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one Se(2), one Se(3), and one Se(4) atom. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one Se(2), one Se(3), and one Se(5) atom. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one Se(2), one Se(3), and one Se(6) atom. In the fourth Cu site, Cu(4) is bonded in a 4-coordinate geometry to one Se(1), one Se(3), one Se(5), and one Se(6) atom. In the fifth Cu site, Cu(5) is bonded in a 4-coordinate geometry to one Se(1), one Se(3), one Se(4), and one Se(6) atom. In the sixth Cu site, Cu(6) is bonded in a 3-coordinate geometry to one Se(1), one Se(5), and one Se(6) atom. In the seventh Cu site, Cu(7) is bonded in a 3-coordinate geometry to one Se(1), one Se(4), and one Se(6) atom. In the eighth Cu site, Cu(8) is bonded in a 3-coordinate geometry to one Se(1), one Se(4), and one Se(5) atom. Ge(1) is bonded in a tetrahedral geometry to one Se(2), one Se(4), one Se(5), and one Se(6) atom. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted pentagonal planar geometry to one Cu(4), one Cu(5), one Cu(6), one Cu(7), and one Cu(8) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to one Cu(1), one Cu(2), one Cu(3), and one Ge(1) atom. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), one Cu(4), and one Cu(5) atom. In the fourth Se site, Se(4) is bonded in a distorted pentagonal planar geometry to one Cu(1), one Cu(5), one Cu(7), one Cu(8), and one Ge(1) atom. In the fifth Se site, Se(5) is bonded in a distorted pentagonal planar geometry to one Cu(2), one Cu(4), one Cu(6), one Cu(8), and one Ge(1) atom. In the sixth Se site, Se(6) is bonded in a 6-coordinate geometry to one Cu(3), one Cu(4), one Cu(5), one Cu(6), one Cu(7), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Cu8GeSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.424
_cell_length_b   7.424
_cell_length_c   11.645
_cell_angle_alpha   89.883
_cell_angle_beta   89.883
_cell_angle_gamma   119.674
_symmetry_Int_Tables_number   1
_cell_volume   557.620
_cell_formula_units_Z   2
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  0.813  0.188  0.050  1.0
  Cu  Cu1  1  0.811  0.624  0.047  1.0
  Cu  Cu2  1  0.375  0.189  0.049  1.0
  Cu  Cu3  1  0.188  0.813  0.550  1.0
  Cu  Cu4  1  0.189  0.375  0.549  1.0
  Cu  Cu5  1  0.624  0.811  0.547  1.0
  Cu  Cu6  1  0.524  0.488  0.423  1.0
  Cu  Cu7  1  0.523  0.035  0.425  1.0
  Cu  Cu8  1  0.488  0.524  0.923  1.0
  Cu  Cu9  1  0.035  0.523  0.925  1.0
  Cu  Cu10  1  0.468  0.527  0.173  1.0
  Cu  Cu11  1  0.478  0.950  0.182  1.0
  Cu  Cu12  1  0.060  0.524  0.173  1.0
  Cu  Cu13  1  0.527  0.468  0.673  1.0
  Cu  Cu14  1  0.524  0.060  0.673  1.0
  Cu  Cu15  1  0.950  0.478  0.682  1.0
  Ge  Ge16  1  0.992  0.994  0.304  1.0
  Ge  Ge17  1  0.994  0.992  0.804  1.0
  Se  Se18  1  0.343  0.688  0.043  1.0
  Se  Se19  1  0.688  0.343  0.543  1.0
  Se  Se20  1  0.001  0.001  0.507  1.0
  Se  Se21  1  0.001  0.001  0.007  1.0
  Se  Se22  1  0.318  0.659  0.410  1.0
  Se  Se23  1  0.659  0.318  0.910  1.0
  Se  Se24  1  0.819  0.183  0.259  1.0
  Se  Se25  1  0.816  0.634  0.257  1.0
  Se  Se26  1  0.356  0.180  0.259  1.0
  Se  Se27  1  0.183  0.819  0.759  1.0
  Se  Se28  1  0.180  0.356  0.759  1.0
  Se  Se29  1  0.634  0.816  0.757  1.0
[/CIF]
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The compound described by Cu8GeSe6 crystallizes in the monoclinic Cc space group. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one Se(2), one Se(3), and one Se(4) atom. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one Se(2), one Se(3), and one Se(5) atom. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one Se(2), one Se(3), and one Se(6) atom. In the fourth Cu site, Cu(4) is bonded in a 4-coordinate geometry to one Se(1), one Se(3), one Se(5), and one Se(6) atom. In the fifth Cu site, Cu(5) is bonded in a 4-coordinate geometry to one Se(1), one Se(3), one Se(4), and one Se(6) atom. In the sixth Cu site, Cu(6) is bonded in a 3-coordinate geometry to one Se(1), one Se(5), and one Se(6) atom. In the seventh Cu site, Cu(7) is bonded in a 3-coordinate geometry to one Se(1), one Se(4), and one Se(6) atom. In the eighth Cu site, Cu(8) is bonded in a 3-coordinate geometry to one Se(1), one Se(4), and one Se(5) atom. Ge(1) is bonded in a tetrahedral geometry to one Se(2), one Se(4), one Se(5), and one Se(6) atom. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted pentagonal planar geometry to one Cu(4), one Cu(5), one Cu(6), one Cu(7), and one Cu(8) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to one Cu(1), one Cu(2), one Cu(3), and one Ge(1) atom. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), one Cu(4), and one Cu(5) atom. In the fourth Se site, Se(4) is bonded in a distorted pentagonal planar geometry to one Cu(1), one Cu(5), one Cu(7), one Cu(8), and one Ge(1) atom. In the fifth Se site, Se(5) is bonded in a distorted pentagonal planar geometry to one Cu(2), one Cu(4), one Cu(6), one Cu(8), and one Ge(1) atom. In the sixth Se site, Se(6) is bonded in a 6-coordinate geometry to one Cu(3), one Cu(4), one Cu(5), one Cu(6), one Cu(7), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Cu8GeSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.424
_cell_length_b   7.424
_cell_length_c   11.645
_cell_angle_alpha   89.883
_cell_angle_beta   89.883
_cell_angle_gamma   119.674
_symmetry_Int_Tables_number   1
_cell_volume   557.620
_cell_formula_units_Z   2
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  0.813  0.188  0.050  1.0
  Cu  Cu1  1  0.811  0.624  0.047  1.0
  Cu  Cu2  1  0.375  0.189  0.049  1.0
  Cu  Cu3  1  0.188  0.813  0.550  1.0
  Cu  Cu4  1  0.189  0.375  0.549  1.0
  Cu  Cu5  1  0.624  0.811  0.547  1.0
  Cu  Cu6  1  0.524  0.488  0.423  1.0
  Cu  Cu7  1  0.523  0.035  0.425  1.0
  Cu  Cu8  1  0.488  0.524  0.923  1.0
  Cu  Cu9  1  0.035  0.523  0.925  1.0
  Cu  Cu10  1  0.468  0.527  0.173  1.0
  Cu  Cu11  1  0.478  0.950  0.182  1.0
  Cu  Cu12  1  0.060  0.524  0.173  1.0
  Cu  Cu13  1  0.527  0.468  0.673  1.0
  Cu  Cu14  1  0.524  0.060  0.673  1.0
  Cu  Cu15  1  0.950  0.478  0.682  1.0
  Ge  Ge16  1  0.992  0.994  0.304  1.0
  Ge  Ge17  1  0.994  0.992  0.804  1.0
  Se  Se18  1  0.343  0.688  0.043  1.0
  Se  Se19  1  0.688  0.343  0.543  1.0
  Se  Se20  1  0.001  0.001  0.507  1.0
  Se  Se21  1  0.001  0.001  0.007  1.0
  Se  Se22  1  0.318  0.659  0.410  1.0
  Se  Se23  1  0.659  0.318  0.910  1.0
  Se  Se24  1  0.819  0.183  0.259  1.0
  Se  Se25  1  0.816  0.634  0.257  1.0
  Se  Se26  1  0.356  0.180  0.259  1.0
  Se  Se27  1  0.183  0.819  0.759  1.0
  Se  Se28  1  0.180  0.356  0.759  1.0
  Se  Se29  1  0.634  0.816  0.757  1.0
[/CIF]
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