The material structure described by Cu6Sn5 crystallizes in the monoclinic C2/c space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted q6 geometry to one Cu(1), one Cu(2), one Cu(4), one Sn(3), two equivalent Sn(2), and three equivalent Sn(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted q6 geometry to one Cu(1), one Cu(3), one Cu(4), one Sn(3), two equivalent Sn(1), and three equivalent Sn(2) atoms. In the third Cu site, Cu(3) is bonded in a distorted q6 geometry to two equivalent Cu(2), two equivalent Cu(4), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the fourth Cu site, Cu(4) is bonded in a 11-coordinate geometry to two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), one Sn(3), two equivalent Sn(1), and two equivalent Sn(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(3) is bonded in a 7-coordinate geometry to one Cu(4), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the second Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Cu(3), one Cu(4), two equivalent Cu(2), and three equivalent Cu(1) atoms. In the third Sn site, Sn(2) is bonded in a 7-coordinate geometry to one Cu(3), one Cu(4), two equivalent Cu(1), and three equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_Cu6Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.583
_cell_length_b   6.583
_cell_length_c   9.837
_cell_angle_alpha   82.716
_cell_angle_beta   82.716
_cell_angle_gamma   67.331
_symmetry_Int_Tables_number   1
_cell_volume   388.782
_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  0.575  0.628  0.796  1.0
  Cu  Cu1  1  0.372  0.425  0.704  1.0
  Cu  Cu2  1  0.425  0.372  0.204  1.0
  Cu  Cu3  1  0.628  0.575  0.296  1.0
  Cu  Cu4  1  0.811  0.801  0.391  1.0
  Cu  Cu5  1  0.199  0.189  0.109  1.0
  Cu  Cu6  1  0.189  0.199  0.609  1.0
  Cu  Cu7  1  0.801  0.811  0.891  1.0
  Cu  Cu8  1  0.000  0.000  0.000  1.0
  Cu  Cu9  1  0.000  0.000  0.500  1.0
  Cu  Cu10  1  0.162  0.838  0.750  1.0
  Cu  Cu11  1  0.838  0.162  0.250  1.0
  Sn  Sn12  1  0.555  0.229  0.471  1.0
  Sn  Sn13  1  0.771  0.445  0.029  1.0
  Sn  Sn14  1  0.445  0.771  0.529  1.0
  Sn  Sn15  1  0.229  0.555  0.971  1.0
  Sn  Sn16  1  0.942  0.630  0.643  1.0
  Sn  Sn17  1  0.370  0.058  0.857  1.0
  Sn  Sn18  1  0.058  0.370  0.357  1.0
  Sn  Sn19  1  0.630  0.942  0.143  1.0
  Sn  Sn20  1  0.801  0.199  0.750  1.0
  Sn  Sn21  1  0.199  0.801  0.250  1.0
[/CIF]
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The material structure described by Cu6Sn5 crystallizes in the monoclinic C2/c space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted q6 geometry to one Cu(1), one Cu(2), one Cu(4), one Sn(3), two equivalent Sn(2), and three equivalent Sn(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted q6 geometry to one Cu(1), one Cu(3), one Cu(4), one Sn(3), two equivalent Sn(1), and three equivalent Sn(2) atoms. In the third Cu site, Cu(3) is bonded in a distorted q6 geometry to two equivalent Cu(2), two equivalent Cu(4), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the fourth Cu site, Cu(4) is bonded in a 11-coordinate geometry to two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), one Sn(3), two equivalent Sn(1), and two equivalent Sn(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(3) is bonded in a 7-coordinate geometry to one Cu(4), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Cu(3) atoms. In the second Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Cu(3), one Cu(4), two equivalent Cu(2), and three equivalent Cu(1) atoms. In the third Sn site, Sn(2) is bonded in a 7-coordinate geometry to one Cu(3), one Cu(4), two equivalent Cu(1), and three equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_Cu6Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.583
_cell_length_b   6.583
_cell_length_c   9.837
_cell_angle_alpha   82.716
_cell_angle_beta   82.716
_cell_angle_gamma   67.331
_symmetry_Int_Tables_number   1
_cell_volume   388.782
_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  0.575  0.628  0.796  1.0
  Cu  Cu1  1  0.372  0.425  0.704  1.0
  Cu  Cu2  1  0.425  0.372  0.204  1.0
  Cu  Cu3  1  0.628  0.575  0.296  1.0
  Cu  Cu4  1  0.811  0.801  0.391  1.0
  Cu  Cu5  1  0.199  0.189  0.109  1.0
  Cu  Cu6  1  0.189  0.199  0.609  1.0
  Cu  Cu7  1  0.801  0.811  0.891  1.0
  Cu  Cu8  1  0.000  0.000  0.000  1.0
  Cu  Cu9  1  0.000  0.000  0.500  1.0
  Cu  Cu10  1  0.162  0.838  0.750  1.0
  Cu  Cu11  1  0.838  0.162  0.250  1.0
  Sn  Sn12  1  0.555  0.229  0.471  1.0
  Sn  Sn13  1  0.771  0.445  0.029  1.0
  Sn  Sn14  1  0.445  0.771  0.529  1.0
  Sn  Sn15  1  0.229  0.555  0.971  1.0
  Sn  Sn16  1  0.942  0.630  0.643  1.0
  Sn  Sn17  1  0.370  0.058  0.857  1.0
  Sn  Sn18  1  0.058  0.370  0.357  1.0
  Sn  Sn19  1  0.630  0.942  0.143  1.0
  Sn  Sn20  1  0.801  0.199  0.750  1.0
  Sn  Sn21  1  0.199  0.801  0.250  1.0
[/CIF]
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