The compound described by Yb5CuSn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to two equivalent Cu(1) and five equivalent Sn(1) atoms to form a mixture of distorted edge, corner, and face-sharing YbCu2Sn5 pentagonal bipyramids. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. Cu(1) is bonded to six equivalent Yb(1) atoms to form face-sharing CuYb6 octahedra. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Yb(2) and five equivalent Yb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb5CuSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.392
_cell_length_b   9.392
_cell_length_c   6.542
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   499.795
_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
  Yb  Yb0  1  0.744  0.744  0.250  1.0
  Yb  Yb1  1  0.256  0.000  0.250  1.0
  Yb  Yb2  1  0.000  0.256  0.250  1.0
  Yb  Yb3  1  0.256  0.256  0.750  1.0
  Yb  Yb4  1  0.744  0.000  0.750  1.0
  Yb  Yb5  1  0.000  0.744  0.750  1.0
  Yb  Yb6  1  0.667  0.333  0.500  1.0
  Yb  Yb7  1  0.333  0.667  0.500  1.0
  Yb  Yb8  1  0.333  0.667  0.000  1.0
  Yb  Yb9  1  0.667  0.333  0.000  1.0
  Cu  Cu10  1  0.000  0.000  0.500  1.0
  Cu  Cu11  1  0.000  0.000  0.000  1.0
  Sn  Sn12  1  0.403  0.403  0.250  1.0
  Sn  Sn13  1  0.597  0.000  0.250  1.0
  Sn  Sn14  1  0.000  0.597  0.250  1.0
  Sn  Sn15  1  0.597  0.597  0.750  1.0
  Sn  Sn16  1  0.403  0.000  0.750  1.0
  Sn  Sn17  1  0.000  0.403  0.750  1.0
[/CIF]
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The compound described by Yb5CuSn3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to two equivalent Cu(1) and five equivalent Sn(1) atoms to form a mixture of distorted edge, corner, and face-sharing YbCu2Sn5 pentagonal bipyramids. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms. Cu(1) is bonded to six equivalent Yb(1) atoms to form face-sharing CuYb6 octahedra. Sn(1) is bonded in a 9-coordinate geometry to four equivalent Yb(2) and five equivalent Yb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb5CuSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.392
_cell_length_b   9.392
_cell_length_c   6.542
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   499.795
_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
  Yb  Yb0  1  0.744  0.744  0.250  1.0
  Yb  Yb1  1  0.256  0.000  0.250  1.0
  Yb  Yb2  1  0.000  0.256  0.250  1.0
  Yb  Yb3  1  0.256  0.256  0.750  1.0
  Yb  Yb4  1  0.744  0.000  0.750  1.0
  Yb  Yb5  1  0.000  0.744  0.750  1.0
  Yb  Yb6  1  0.667  0.333  0.500  1.0
  Yb  Yb7  1  0.333  0.667  0.500  1.0
  Yb  Yb8  1  0.333  0.667  0.000  1.0
  Yb  Yb9  1  0.667  0.333  0.000  1.0
  Cu  Cu10  1  0.000  0.000  0.500  1.0
  Cu  Cu11  1  0.000  0.000  0.000  1.0
  Sn  Sn12  1  0.403  0.403  0.250  1.0
  Sn  Sn13  1  0.597  0.000  0.250  1.0
  Sn  Sn14  1  0.000  0.597  0.250  1.0
  Sn  Sn15  1  0.597  0.597  0.750  1.0
  Sn  Sn16  1  0.403  0.000  0.750  1.0
  Sn  Sn17  1  0.000  0.403  0.750  1.0
[/CIF]
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