The compound described by Yb3Cu6Sn5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to four equivalent Cu(2) and eight equivalent Sn(1) atoms to form distorted YbCu4Sn8 cuboctahedra that share edges with two equivalent Sn(2)Yb4Cu8 cuboctahedra and faces with two equivalent Yb(1)Cu4Sn8 cuboctahedra. In the second Yb site, Yb(2) is bonded in a 14-coordinate geometry to two equivalent Cu(1), four equivalent Cu(2), two equivalent Sn(2), and six equivalent Sn(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to two equivalent Yb(2), four equivalent Cu(2), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to one Yb(1), two equivalent Yb(2), two equivalent Cu(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Yb(1), three equivalent Yb(2), one Cu(1), three equivalent Cu(2), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded to four equivalent Yb(2), four equivalent Cu(1), and four equivalent Cu(2) atoms to form SnYb4Cu8 cuboctahedra that share edges with two equivalent Yb(1)Cu4Sn8 cuboctahedra and faces with two equivalent Sn(2)Yb4Cu8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb3Cu6Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.330
_cell_length_b   8.282
_cell_length_c   8.282
_cell_angle_alpha   72.598
_cell_angle_beta   74.847
_cell_angle_gamma   74.847
_symmetry_Int_Tables_number   1
_cell_volume   268.046
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Yb  Yb1  1  0.313  0.687  0.687  1.0
  Yb  Yb2  1  0.687  0.313  0.313  1.0
  Cu  Cu3  1  0.500  0.305  0.695  1.0
  Cu  Cu4  1  0.500  0.695  0.305  1.0
  Cu  Cu5  1  0.883  0.397  0.836  1.0
  Cu  Cu6  1  0.883  0.836  0.397  1.0
  Cu  Cu7  1  0.117  0.164  0.603  1.0
  Cu  Cu8  1  0.117  0.603  0.164  1.0
  Sn  Sn9  1  0.327  0.327  0.020  1.0
  Sn  Sn10  1  0.000  0.500  0.500  1.0
  Sn  Sn11  1  0.673  0.673  0.980  1.0
  Sn  Sn12  1  0.673  0.980  0.673  1.0
  Sn  Sn13  1  0.327  0.020  0.327  1.0
[/CIF]
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The compound described by Yb3Cu6Sn5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to four equivalent Cu(2) and eight equivalent Sn(1) atoms to form distorted YbCu4Sn8 cuboctahedra that share edges with two equivalent Sn(2)Yb4Cu8 cuboctahedra and faces with two equivalent Yb(1)Cu4Sn8 cuboctahedra. In the second Yb site, Yb(2) is bonded in a 14-coordinate geometry to two equivalent Cu(1), four equivalent Cu(2), two equivalent Sn(2), and six equivalent Sn(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to two equivalent Yb(2), four equivalent Cu(2), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to one Yb(1), two equivalent Yb(2), two equivalent Cu(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Yb(1), three equivalent Yb(2), one Cu(1), three equivalent Cu(2), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded to four equivalent Yb(2), four equivalent Cu(1), and four equivalent Cu(2) atoms to form SnYb4Cu8 cuboctahedra that share edges with two equivalent Yb(1)Cu4Sn8 cuboctahedra and faces with two equivalent Sn(2)Yb4Cu8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb3Cu6Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.330
_cell_length_b   8.282
_cell_length_c   8.282
_cell_angle_alpha   72.598
_cell_angle_beta   74.847
_cell_angle_gamma   74.847
_symmetry_Int_Tables_number   1
_cell_volume   268.046
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Yb  Yb1  1  0.313  0.687  0.687  1.0
  Yb  Yb2  1  0.687  0.313  0.313  1.0
  Cu  Cu3  1  0.500  0.305  0.695  1.0
  Cu  Cu4  1  0.500  0.695  0.305  1.0
  Cu  Cu5  1  0.883  0.397  0.836  1.0
  Cu  Cu6  1  0.883  0.836  0.397  1.0
  Cu  Cu7  1  0.117  0.164  0.603  1.0
  Cu  Cu8  1  0.117  0.603  0.164  1.0
  Sn  Sn9  1  0.327  0.327  0.020  1.0
  Sn  Sn10  1  0.000  0.500  0.500  1.0
  Sn  Sn11  1  0.673  0.673  0.980  1.0
  Sn  Sn12  1  0.673  0.980  0.673  1.0
  Sn  Sn13  1  0.327  0.020  0.327  1.0
[/CIF]
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