The material described by Ce3Au6Sn5 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 14-coordinate geometry to two equivalent Au(1), two equivalent Au(2), four equivalent Au(3), two equivalent Sn(1), and four equivalent Sn(2) atoms. In the second Ce site, Ce(2) is bonded in a 16-coordinate geometry to one Au(2), one Au(4), three equivalent Au(1), three equivalent Au(3), two equivalent Sn(3), three equivalent Sn(1), and three equivalent Sn(2) atoms. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a 10-coordinate geometry to one Ce(1), three equivalent Ce(2), two equivalent Au(2), one Sn(3), and three equivalent Sn(2) atoms. In the second Au site, Au(2) is bonded in a 6-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), four equivalent Au(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the third Au site, Au(3) is bonded in a 4-coordinate geometry to two equivalent Ce(1), three equivalent Ce(2), one Au(4), one Sn(2), and three equivalent Sn(1) atoms. In the fourth Au site, Au(4) is bonded in a 10-coordinate geometry to two equivalent Ce(2), two equivalent Au(3), two equivalent Sn(3), and four equivalent Sn(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to one Ce(1), three equivalent Ce(2), two equivalent Au(4), three equivalent Au(3), and one Sn(3) atom. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to two equivalent Ce(1), three equivalent Ce(2), one Au(2), one Au(3), and three equivalent Au(1) atoms. In the third Sn site, Sn(3) is bonded in a 12-coordinate geometry to four equivalent Ce(2), two equivalent Au(1), two equivalent Au(2), two equivalent Au(4), and two equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_Ce3Sn5Au6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.658
_cell_length_b   10.270
_cell_length_c   13.781
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   659.273
_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  0.500  0.757  0.500  1.0
  Ce  Ce1  1  0.000  0.243  0.000  1.0
  Ce  Ce2  1  0.500  0.755  0.817  1.0
  Ce  Ce3  1  0.500  0.755  0.183  1.0
  Ce  Ce4  1  0.000  0.245  0.683  1.0
  Ce  Ce5  1  0.000  0.245  0.317  1.0
  Sn  Sn6  1  0.500  0.477  0.641  1.0
  Sn  Sn7  1  0.500  0.477  0.359  1.0
  Sn  Sn8  1  0.000  0.523  0.859  1.0
  Sn  Sn9  1  0.000  0.523  0.141  1.0
  Sn  Sn10  1  0.500  0.121  0.837  1.0
  Sn  Sn11  1  0.500  0.121  0.163  1.0
  Sn  Sn12  1  0.000  0.879  0.663  1.0
  Sn  Sn13  1  0.000  0.879  0.337  1.0
  Sn  Sn14  1  0.500  0.223  0.500  1.0
  Sn  Sn15  1  0.000  0.777  0.000  1.0
  Au  Au16  1  0.500  0.023  0.647  1.0
  Au  Au17  1  0.500  0.023  0.353  1.0
  Au  Au18  1  0.000  0.977  0.853  1.0
  Au  Au19  1  0.000  0.977  0.147  1.0
  Au  Au20  1  0.000  0.039  0.500  1.0
  Au  Au21  1  0.500  0.961  0.000  1.0
  Au  Au22  1  0.500  0.381  0.837  1.0
  Au  Au23  1  0.500  0.381  0.163  1.0
  Au  Au24  1  0.000  0.619  0.663  1.0
  Au  Au25  1  0.000  0.619  0.337  1.0
  Au  Au26  1  0.000  0.440  0.500  1.0
  Au  Au27  1  0.500  0.560  0.000  1.0
[/CIF]
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The material described by Ce3Au6Sn5 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 14-coordinate geometry to two equivalent Au(1), two equivalent Au(2), four equivalent Au(3), two equivalent Sn(1), and four equivalent Sn(2) atoms. In the second Ce site, Ce(2) is bonded in a 16-coordinate geometry to one Au(2), one Au(4), three equivalent Au(1), three equivalent Au(3), two equivalent Sn(3), three equivalent Sn(1), and three equivalent Sn(2) atoms. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a 10-coordinate geometry to one Ce(1), three equivalent Ce(2), two equivalent Au(2), one Sn(3), and three equivalent Sn(2) atoms. In the second Au site, Au(2) is bonded in a 6-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), four equivalent Au(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the third Au site, Au(3) is bonded in a 4-coordinate geometry to two equivalent Ce(1), three equivalent Ce(2), one Au(4), one Sn(2), and three equivalent Sn(1) atoms. In the fourth Au site, Au(4) is bonded in a 10-coordinate geometry to two equivalent Ce(2), two equivalent Au(3), two equivalent Sn(3), and four equivalent Sn(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to one Ce(1), three equivalent Ce(2), two equivalent Au(4), three equivalent Au(3), and one Sn(3) atom. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to two equivalent Ce(1), three equivalent Ce(2), one Au(2), one Au(3), and three equivalent Au(1) atoms. In the third Sn site, Sn(3) is bonded in a 12-coordinate geometry to four equivalent Ce(2), two equivalent Au(1), two equivalent Au(2), two equivalent Au(4), and two equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_Ce3Sn5Au6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.658
_cell_length_b   10.270
_cell_length_c   13.781
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   659.273
_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  0.500  0.757  0.500  1.0
  Ce  Ce1  1  0.000  0.243  0.000  1.0
  Ce  Ce2  1  0.500  0.755  0.817  1.0
  Ce  Ce3  1  0.500  0.755  0.183  1.0
  Ce  Ce4  1  0.000  0.245  0.683  1.0
  Ce  Ce5  1  0.000  0.245  0.317  1.0
  Sn  Sn6  1  0.500  0.477  0.641  1.0
  Sn  Sn7  1  0.500  0.477  0.359  1.0
  Sn  Sn8  1  0.000  0.523  0.859  1.0
  Sn  Sn9  1  0.000  0.523  0.141  1.0
  Sn  Sn10  1  0.500  0.121  0.837  1.0
  Sn  Sn11  1  0.500  0.121  0.163  1.0
  Sn  Sn12  1  0.000  0.879  0.663  1.0
  Sn  Sn13  1  0.000  0.879  0.337  1.0
  Sn  Sn14  1  0.500  0.223  0.500  1.0
  Sn  Sn15  1  0.000  0.777  0.000  1.0
  Au  Au16  1  0.500  0.023  0.647  1.0
  Au  Au17  1  0.500  0.023  0.353  1.0
  Au  Au18  1  0.000  0.977  0.853  1.0
  Au  Au19  1  0.000  0.977  0.147  1.0
  Au  Au20  1  0.000  0.039  0.500  1.0
  Au  Au21  1  0.500  0.961  0.000  1.0
  Au  Au22  1  0.500  0.381  0.837  1.0
  Au  Au23  1  0.500  0.381  0.163  1.0
  Au  Au24  1  0.000  0.619  0.663  1.0
  Au  Au25  1  0.000  0.619  0.337  1.0
  Au  Au26  1  0.000  0.440  0.500  1.0
  Au  Au27  1  0.500  0.560  0.000  1.0
[/CIF]
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