The structure described by Yb5Sn3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted square co-planar geometry to two equivalent Sn(1) and four equivalent Sn(2) atoms. In the second Yb site, Yb(2) is bonded to two equivalent Sn(1) and three equivalent Sn(2) atoms to form a mixture of distorted edge, corner, and face-sharing YbSn5 trigonal bipyramids. 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) and eight equivalent Yb(2) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Yb(1), six equivalent Yb(2), and one Sn(2) atom. is represented by the CIF card [CIF]
data_Yb5Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.450
_cell_length_b   9.450
_cell_length_c   9.450
_cell_angle_alpha   129.619
_cell_angle_beta   129.619
_cell_angle_gamma   74.016
_symmetry_Int_Tables_number   1
_cell_volume   488.374
_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  0.500  0.500  0.000  1.0
  Yb  Yb1  1  0.000  0.000  0.000  1.0
  Yb  Yb2  1  0.535  0.035  0.854  1.0
  Yb  Yb3  1  0.182  0.682  0.146  1.0
  Yb  Yb4  1  0.035  0.182  0.500  1.0
  Yb  Yb5  1  0.682  0.535  0.500  1.0
  Yb  Yb6  1  0.465  0.965  0.146  1.0
  Yb  Yb7  1  0.818  0.318  0.854  1.0
  Yb  Yb8  1  0.965  0.818  0.500  1.0
  Yb  Yb9  1  0.318  0.465  0.500  1.0
  Sn  Sn10  1  0.250  0.250  0.000  1.0
  Sn  Sn11  1  0.750  0.750  0.000  1.0
  Sn  Sn12  1  0.875  0.375  0.250  1.0
  Sn  Sn13  1  0.125  0.625  0.750  1.0
  Sn  Sn14  1  0.375  0.125  0.500  1.0
  Sn  Sn15  1  0.625  0.875  0.500  1.0
[/CIF]
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The structure described by Yb5Sn3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted square co-planar geometry to two equivalent Sn(1) and four equivalent Sn(2) atoms. In the second Yb site, Yb(2) is bonded to two equivalent Sn(1) and three equivalent Sn(2) atoms to form a mixture of distorted edge, corner, and face-sharing YbSn5 trigonal bipyramids. 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) and eight equivalent Yb(2) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Yb(1), six equivalent Yb(2), and one Sn(2) atom. is represented by the CIF card [CIF]
data_Yb5Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.450
_cell_length_b   9.450
_cell_length_c   9.450
_cell_angle_alpha   129.619
_cell_angle_beta   129.619
_cell_angle_gamma   74.016
_symmetry_Int_Tables_number   1
_cell_volume   488.374
_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  0.500  0.500  0.000  1.0
  Yb  Yb1  1  0.000  0.000  0.000  1.0
  Yb  Yb2  1  0.535  0.035  0.854  1.0
  Yb  Yb3  1  0.182  0.682  0.146  1.0
  Yb  Yb4  1  0.035  0.182  0.500  1.0
  Yb  Yb5  1  0.682  0.535  0.500  1.0
  Yb  Yb6  1  0.465  0.965  0.146  1.0
  Yb  Yb7  1  0.818  0.318  0.854  1.0
  Yb  Yb8  1  0.965  0.818  0.500  1.0
  Yb  Yb9  1  0.318  0.465  0.500  1.0
  Sn  Sn10  1  0.250  0.250  0.000  1.0
  Sn  Sn11  1  0.750  0.750  0.000  1.0
  Sn  Sn12  1  0.875  0.375  0.250  1.0
  Sn  Sn13  1  0.125  0.625  0.750  1.0
  Sn  Sn14  1  0.375  0.125  0.500  1.0
  Sn  Sn15  1  0.625  0.875  0.500  1.0
[/CIF]
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