The crystal structure described by CeCu9Sn4 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the tetragonal I4/mcm space group. Ce(1) is bonded in a 24-coordinate geometry to eight equivalent Cu(1), eight equivalent Cu(3), and eight equivalent Sn(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 13-coordinate geometry to two equivalent Ce(1), one Cu(2), two equivalent Cu(1), four equivalent Cu(3), and four equivalent Sn(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted cuboctahedral geometry to four equivalent Cu(1), four equivalent Cu(3), and four equivalent Sn(1) atoms. In the third Cu site, Cu(3) is bonded in a 12-coordinate geometry to two equivalent Ce(1), one Cu(2), three equivalent Cu(3), four equivalent Cu(1), and two equivalent Sn(1) atoms. Sn(1) is bonded in a 12-coordinate geometry to two equivalent Ce(1), one Cu(2), two equivalent Cu(3), four equivalent Cu(1), and three equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_CeCu9Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.116
_cell_length_b   9.116
_cell_length_c   8.722
_cell_angle_alpha   121.505
_cell_angle_beta   121.505
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.275
_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
  Ce  Ce0  1  0.250  0.250  0.500  1.0
  Ce  Ce1  1  0.750  0.750  0.500  1.0
  Cu  Cu2  1  0.327  0.827  0.274  1.0
  Cu  Cu3  1  0.673  0.173  0.726  1.0
  Cu  Cu4  1  0.947  0.447  0.274  1.0
  Cu  Cu5  1  0.447  0.327  0.274  1.0
  Cu  Cu6  1  0.173  0.053  0.726  1.0
  Cu  Cu7  1  0.053  0.553  0.726  1.0
  Cu  Cu8  1  0.553  0.673  0.726  1.0
  Cu  Cu9  1  0.827  0.947  0.274  1.0
  Cu  Cu10  1  0.000  0.500  0.000  1.0
  Cu  Cu11  1  0.500  0.000  0.000  1.0
  Cu  Cu12  1  0.786  0.286  0.360  1.0
  Cu  Cu13  1  0.214  0.714  0.640  1.0
  Cu  Cu14  1  0.573  0.073  0.360  1.0
  Cu  Cu15  1  0.073  0.786  0.360  1.0
  Cu  Cu16  1  0.714  0.427  0.640  1.0
  Cu  Cu17  1  0.427  0.927  0.640  1.0
  Cu  Cu18  1  0.927  0.214  0.640  1.0
  Cu  Cu19  1  0.286  0.573  0.360  1.0
  Sn  Sn20  1  0.046  0.217  0.000  1.0
  Sn  Sn21  1  0.954  0.783  0.000  1.0
  Sn  Sn22  1  0.783  0.046  0.000  1.0
  Sn  Sn23  1  0.454  0.717  0.000  1.0
  Sn  Sn24  1  0.217  0.954  0.000  1.0
  Sn  Sn25  1  0.546  0.283  0.000  1.0
  Sn  Sn26  1  0.717  0.546  0.000  1.0
  Sn  Sn27  1  0.283  0.454  0.000  1.0
[/CIF]
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The crystal structure described by CeCu9Sn4 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the tetragonal I4/mcm space group. Ce(1) is bonded in a 24-coordinate geometry to eight equivalent Cu(1), eight equivalent Cu(3), and eight equivalent Sn(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 13-coordinate geometry to two equivalent Ce(1), one Cu(2), two equivalent Cu(1), four equivalent Cu(3), and four equivalent Sn(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted cuboctahedral geometry to four equivalent Cu(1), four equivalent Cu(3), and four equivalent Sn(1) atoms. In the third Cu site, Cu(3) is bonded in a 12-coordinate geometry to two equivalent Ce(1), one Cu(2), three equivalent Cu(3), four equivalent Cu(1), and two equivalent Sn(1) atoms. Sn(1) is bonded in a 12-coordinate geometry to two equivalent Ce(1), one Cu(2), two equivalent Cu(3), four equivalent Cu(1), and three equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_CeCu9Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.116
_cell_length_b   9.116
_cell_length_c   8.722
_cell_angle_alpha   121.505
_cell_angle_beta   121.505
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.275
_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
  Ce  Ce0  1  0.250  0.250  0.500  1.0
  Ce  Ce1  1  0.750  0.750  0.500  1.0
  Cu  Cu2  1  0.327  0.827  0.274  1.0
  Cu  Cu3  1  0.673  0.173  0.726  1.0
  Cu  Cu4  1  0.947  0.447  0.274  1.0
  Cu  Cu5  1  0.447  0.327  0.274  1.0
  Cu  Cu6  1  0.173  0.053  0.726  1.0
  Cu  Cu7  1  0.053  0.553  0.726  1.0
  Cu  Cu8  1  0.553  0.673  0.726  1.0
  Cu  Cu9  1  0.827  0.947  0.274  1.0
  Cu  Cu10  1  0.000  0.500  0.000  1.0
  Cu  Cu11  1  0.500  0.000  0.000  1.0
  Cu  Cu12  1  0.786  0.286  0.360  1.0
  Cu  Cu13  1  0.214  0.714  0.640  1.0
  Cu  Cu14  1  0.573  0.073  0.360  1.0
  Cu  Cu15  1  0.073  0.786  0.360  1.0
  Cu  Cu16  1  0.714  0.427  0.640  1.0
  Cu  Cu17  1  0.427  0.927  0.640  1.0
  Cu  Cu18  1  0.927  0.214  0.640  1.0
  Cu  Cu19  1  0.286  0.573  0.360  1.0
  Sn  Sn20  1  0.046  0.217  0.000  1.0
  Sn  Sn21  1  0.954  0.783  0.000  1.0
  Sn  Sn22  1  0.783  0.046  0.000  1.0
  Sn  Sn23  1  0.454  0.717  0.000  1.0
  Sn  Sn24  1  0.217  0.954  0.000  1.0
  Sn  Sn25  1  0.546  0.283  0.000  1.0
  Sn  Sn26  1  0.717  0.546  0.000  1.0
  Sn  Sn27  1  0.283  0.454  0.000  1.0
[/CIF]
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