The compound described by Yb5Sn4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one Sn(3), two equivalent Sn(2), and three equivalent Sn(1) atoms. In the second Yb site, Yb(2) is bonded to one Sn(2), two equivalent Sn(3), and four equivalent Sn(1) atoms to form distorted YbSn7 pentagonal bipyramids that share corners with four equivalent Yb(3)Sn6 octahedra, corners with six equivalent Yb(2)Sn7 pentagonal bipyramids, edges with two equivalent Yb(2)Sn7 pentagonal bipyramids, faces with two equivalent Yb(3)Sn6 octahedra, and faces with three equivalent Yb(2)Sn7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 46-50°. In the third Yb site, Yb(3) is bonded to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form distorted YbSn6 octahedra that share corners with four equivalent Yb(3)Sn6 octahedra, corners with eight equivalent Yb(2)Sn7 pentagonal bipyramids, and faces with four equivalent Yb(2)Sn7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 50-56°. There are three inequivalent Sn sites. In the first Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent Yb(1), two equivalent Yb(3), four equivalent Yb(2), and one Sn(2) atom. In the second Sn site, Sn(1) is bonded in a 9-coordinate geometry to one Yb(3), three equivalent Yb(1), four equivalent Yb(2), and one Sn(1) atom. In the third Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Yb(2), two equivalent Yb(3), four equivalent Yb(1), and one Sn(3) atom. is represented by the CIF file [CIF]
data_Yb5Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.974
_cell_length_b   8.420
_cell_length_c   16.428
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1103.005
_cell_formula_units_Z   4
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  0.646  0.179  0.624  1.0
  Yb  Yb1  1  0.146  0.321  0.876  1.0
  Yb  Yb2  1  0.354  0.821  0.124  1.0
  Yb  Yb3  1  0.854  0.679  0.376  1.0
  Yb  Yb4  1  0.354  0.821  0.376  1.0
  Yb  Yb5  1  0.854  0.679  0.124  1.0
  Yb  Yb6  1  0.646  0.179  0.876  1.0
  Yb  Yb7  1  0.146  0.321  0.624  1.0
  Yb  Yb8  1  0.483  0.682  0.599  1.0
  Yb  Yb9  1  0.983  0.818  0.901  1.0
  Yb  Yb10  1  0.517  0.318  0.099  1.0
  Yb  Yb11  1  0.017  0.182  0.401  1.0
  Yb  Yb12  1  0.517  0.318  0.401  1.0
  Yb  Yb13  1  0.017  0.182  0.099  1.0
  Yb  Yb14  1  0.483  0.682  0.901  1.0
  Yb  Yb15  1  0.983  0.818  0.599  1.0
  Yb  Yb16  1  0.817  0.499  0.750  1.0
  Yb  Yb17  1  0.317  0.001  0.750  1.0
  Yb  Yb18  1  0.183  0.501  0.250  1.0
  Yb  Yb19  1  0.683  0.999  0.250  1.0
  Sn  Sn20  1  0.678  0.974  0.464  1.0
  Sn  Sn21  1  0.178  0.526  0.036  1.0
  Sn  Sn22  1  0.322  0.026  0.964  1.0
  Sn  Sn23  1  0.822  0.474  0.536  1.0
  Sn  Sn24  1  0.322  0.026  0.536  1.0
  Sn  Sn25  1  0.822  0.474  0.964  1.0
  Sn  Sn26  1  0.678  0.974  0.036  1.0
  Sn  Sn27  1  0.178  0.526  0.464  1.0
  Sn  Sn28  1  0.441  0.391  0.750  1.0
  Sn  Sn29  1  0.941  0.109  0.750  1.0
  Sn  Sn30  1  0.559  0.609  0.250  1.0
  Sn  Sn31  1  0.059  0.891  0.250  1.0
  Sn  Sn32  1  0.691  0.861  0.750  1.0
  Sn  Sn33  1  0.191  0.639  0.750  1.0
  Sn  Sn34  1  0.309  0.139  0.250  1.0
  Sn  Sn35  1  0.809  0.361  0.250  1.0
[/CIF]
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The compound described by Yb5Sn4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one Sn(3), two equivalent Sn(2), and three equivalent Sn(1) atoms. In the second Yb site, Yb(2) is bonded to one Sn(2), two equivalent Sn(3), and four equivalent Sn(1) atoms to form distorted YbSn7 pentagonal bipyramids that share corners with four equivalent Yb(3)Sn6 octahedra, corners with six equivalent Yb(2)Sn7 pentagonal bipyramids, edges with two equivalent Yb(2)Sn7 pentagonal bipyramids, faces with two equivalent Yb(3)Sn6 octahedra, and faces with three equivalent Yb(2)Sn7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 46-50°. In the third Yb site, Yb(3) is bonded to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form distorted YbSn6 octahedra that share corners with four equivalent Yb(3)Sn6 octahedra, corners with eight equivalent Yb(2)Sn7 pentagonal bipyramids, and faces with four equivalent Yb(2)Sn7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 50-56°. There are three inequivalent Sn sites. In the first Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent Yb(1), two equivalent Yb(3), four equivalent Yb(2), and one Sn(2) atom. In the second Sn site, Sn(1) is bonded in a 9-coordinate geometry to one Yb(3), three equivalent Yb(1), four equivalent Yb(2), and one Sn(1) atom. In the third Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Yb(2), two equivalent Yb(3), four equivalent Yb(1), and one Sn(3) atom. is represented by the CIF file [CIF]
data_Yb5Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.974
_cell_length_b   8.420
_cell_length_c   16.428
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1103.005
_cell_formula_units_Z   4
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  0.646  0.179  0.624  1.0
  Yb  Yb1  1  0.146  0.321  0.876  1.0
  Yb  Yb2  1  0.354  0.821  0.124  1.0
  Yb  Yb3  1  0.854  0.679  0.376  1.0
  Yb  Yb4  1  0.354  0.821  0.376  1.0
  Yb  Yb5  1  0.854  0.679  0.124  1.0
  Yb  Yb6  1  0.646  0.179  0.876  1.0
  Yb  Yb7  1  0.146  0.321  0.624  1.0
  Yb  Yb8  1  0.483  0.682  0.599  1.0
  Yb  Yb9  1  0.983  0.818  0.901  1.0
  Yb  Yb10  1  0.517  0.318  0.099  1.0
  Yb  Yb11  1  0.017  0.182  0.401  1.0
  Yb  Yb12  1  0.517  0.318  0.401  1.0
  Yb  Yb13  1  0.017  0.182  0.099  1.0
  Yb  Yb14  1  0.483  0.682  0.901  1.0
  Yb  Yb15  1  0.983  0.818  0.599  1.0
  Yb  Yb16  1  0.817  0.499  0.750  1.0
  Yb  Yb17  1  0.317  0.001  0.750  1.0
  Yb  Yb18  1  0.183  0.501  0.250  1.0
  Yb  Yb19  1  0.683  0.999  0.250  1.0
  Sn  Sn20  1  0.678  0.974  0.464  1.0
  Sn  Sn21  1  0.178  0.526  0.036  1.0
  Sn  Sn22  1  0.322  0.026  0.964  1.0
  Sn  Sn23  1  0.822  0.474  0.536  1.0
  Sn  Sn24  1  0.322  0.026  0.536  1.0
  Sn  Sn25  1  0.822  0.474  0.964  1.0
  Sn  Sn26  1  0.678  0.974  0.036  1.0
  Sn  Sn27  1  0.178  0.526  0.464  1.0
  Sn  Sn28  1  0.441  0.391  0.750  1.0
  Sn  Sn29  1  0.941  0.109  0.750  1.0
  Sn  Sn30  1  0.559  0.609  0.250  1.0
  Sn  Sn31  1  0.059  0.891  0.250  1.0
  Sn  Sn32  1  0.691  0.861  0.750  1.0
  Sn  Sn33  1  0.191  0.639  0.750  1.0
  Sn  Sn34  1  0.309  0.139  0.250  1.0
  Sn  Sn35  1  0.809  0.361  0.250  1.0
[/CIF]
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