The material described by YRu4Sn6 crystallizes in the tetragonal I-42m space group. Y(1) is bonded in a 16-coordinate geometry to four equivalent Ru(1), four equivalent Sn(2), and eight equivalent Sn(1) atoms. Ru(1) is bonded in a 7-coordinate geometry to one Y(1), two equivalent Sn(2), and four equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to two equivalent Y(1) and four equivalent Ru(1) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent Y(1) and four equivalent Ru(1) atoms. is represented by the CIF card [CIF]
data_Y(Sn3Ru2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.872
_cell_length_b   6.872
_cell_length_c   6.908
_cell_angle_alpha   119.832
_cell_angle_beta   119.832
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.855
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Sn  Sn1  1  0.532  0.881  0.413  1.0
  Sn  Sn2  1  0.881  0.532  0.413  1.0
  Sn  Sn3  1  0.119  0.119  0.587  1.0
  Sn  Sn4  1  0.500  0.000  0.000  1.0
  Sn  Sn5  1  0.468  0.468  0.587  1.0
  Sn  Sn6  1  0.000  0.500  0.000  1.0
  Ru  Ru7  1  0.597  0.249  0.845  1.0
  Ru  Ru8  1  0.403  0.403  0.155  1.0
  Ru  Ru9  1  0.249  0.597  0.845  1.0
  Ru  Ru10  1  0.751  0.751  0.155  1.0
[/CIF]
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The material described by YRu4Sn6 crystallizes in the tetragonal I-42m space group. Y(1) is bonded in a 16-coordinate geometry to four equivalent Ru(1), four equivalent Sn(2), and eight equivalent Sn(1) atoms. Ru(1) is bonded in a 7-coordinate geometry to one Y(1), two equivalent Sn(2), and four equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to two equivalent Y(1) and four equivalent Ru(1) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent Y(1) and four equivalent Ru(1) atoms. is represented by the CIF card [CIF]
data_Y(Sn3Ru2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.872
_cell_length_b   6.872
_cell_length_c   6.908
_cell_angle_alpha   119.832
_cell_angle_beta   119.832
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.855
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Sn  Sn1  1  0.532  0.881  0.413  1.0
  Sn  Sn2  1  0.881  0.532  0.413  1.0
  Sn  Sn3  1  0.119  0.119  0.587  1.0
  Sn  Sn4  1  0.500  0.000  0.000  1.0
  Sn  Sn5  1  0.468  0.468  0.587  1.0
  Sn  Sn6  1  0.000  0.500  0.000  1.0
  Ru  Ru7  1  0.597  0.249  0.845  1.0
  Ru  Ru8  1  0.403  0.403  0.155  1.0
  Ru  Ru9  1  0.249  0.597  0.845  1.0
  Ru  Ru10  1  0.751  0.751  0.155  1.0
[/CIF]
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