The crystal structure described by Sn4Y5 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Y sites. In the first Y site, Y(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 Y site, Y(2) is bonded in a 7-coordinate geometry to one Sn(2), two equivalent Sn(3), and four equivalent Sn(1) atoms. In the third Y site, Y(3) is bonded to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form corner-sharing YSn6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are three inequivalent Sn sites. In the first Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(3), four equivalent Y(2), and one Sn(2) atom. In the second Sn site, Sn(1) is bonded in a 8-coordinate geometry to one Y(3), three equivalent Y(1), and four equivalent Y(2) atoms. In the third Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Y(2), two equivalent Y(3), four equivalent Y(1), and one Sn(3) atom. is represented by the CIF file [CIF]
data_Y5Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.043
_cell_length_b   8.169
_cell_length_c   15.581
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1023.774
_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
  Y  Y0  1  0.367  0.836  0.878  1.0
  Y  Y1  1  0.867  0.664  0.622  1.0
  Y  Y2  1  0.633  0.164  0.378  1.0
  Y  Y3  1  0.133  0.336  0.122  1.0
  Y  Y4  1  0.633  0.164  0.122  1.0
  Y  Y5  1  0.133  0.336  0.378  1.0
  Y  Y6  1  0.367  0.836  0.622  1.0
  Y  Y7  1  0.867  0.664  0.878  1.0
  Y  Y8  1  0.523  0.320  0.902  1.0
  Y  Y9  1  0.023  0.180  0.598  1.0
  Y  Y10  1  0.477  0.680  0.402  1.0
  Y  Y11  1  0.977  0.820  0.098  1.0
  Y  Y12  1  0.477  0.680  0.098  1.0
  Y  Y13  1  0.977  0.820  0.402  1.0
  Y  Y14  1  0.523  0.320  0.598  1.0
  Y  Y15  1  0.023  0.180  0.902  1.0
  Y  Y16  1  0.198  0.503  0.750  1.0
  Y  Y17  1  0.698  0.997  0.750  1.0
  Y  Y18  1  0.802  0.497  0.250  1.0
  Y  Y19  1  0.302  0.003  0.250  1.0
  Sn  Sn20  1  0.292  0.033  0.041  1.0
  Sn  Sn21  1  0.792  0.467  0.459  1.0
  Sn  Sn22  1  0.708  0.967  0.541  1.0
  Sn  Sn23  1  0.208  0.533  0.959  1.0
  Sn  Sn24  1  0.708  0.967  0.959  1.0
  Sn  Sn25  1  0.208  0.533  0.541  1.0
  Sn  Sn26  1  0.292  0.033  0.459  1.0
  Sn  Sn27  1  0.792  0.467  0.041  1.0
  Sn  Sn28  1  0.565  0.620  0.750  1.0
  Sn  Sn29  1  0.065  0.880  0.750  1.0
  Sn  Sn30  1  0.435  0.380  0.250  1.0
  Sn  Sn31  1  0.935  0.120  0.250  1.0
  Sn  Sn32  1  0.330  0.147  0.750  1.0
  Sn  Sn33  1  0.830  0.353  0.750  1.0
  Sn  Sn34  1  0.670  0.853  0.250  1.0
  Sn  Sn35  1  0.170  0.647  0.250  1.0
[/CIF]
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The crystal structure described by Sn4Y5 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Y sites. In the first Y site, Y(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 Y site, Y(2) is bonded in a 7-coordinate geometry to one Sn(2), two equivalent Sn(3), and four equivalent Sn(1) atoms. In the third Y site, Y(3) is bonded to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form corner-sharing YSn6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are three inequivalent Sn sites. In the first Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(3), four equivalent Y(2), and one Sn(2) atom. In the second Sn site, Sn(1) is bonded in a 8-coordinate geometry to one Y(3), three equivalent Y(1), and four equivalent Y(2) atoms. In the third Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Y(2), two equivalent Y(3), four equivalent Y(1), and one Sn(3) atom. is represented by the CIF file [CIF]
data_Y5Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.043
_cell_length_b   8.169
_cell_length_c   15.581
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1023.774
_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
  Y  Y0  1  0.367  0.836  0.878  1.0
  Y  Y1  1  0.867  0.664  0.622  1.0
  Y  Y2  1  0.633  0.164  0.378  1.0
  Y  Y3  1  0.133  0.336  0.122  1.0
  Y  Y4  1  0.633  0.164  0.122  1.0
  Y  Y5  1  0.133  0.336  0.378  1.0
  Y  Y6  1  0.367  0.836  0.622  1.0
  Y  Y7  1  0.867  0.664  0.878  1.0
  Y  Y8  1  0.523  0.320  0.902  1.0
  Y  Y9  1  0.023  0.180  0.598  1.0
  Y  Y10  1  0.477  0.680  0.402  1.0
  Y  Y11  1  0.977  0.820  0.098  1.0
  Y  Y12  1  0.477  0.680  0.098  1.0
  Y  Y13  1  0.977  0.820  0.402  1.0
  Y  Y14  1  0.523  0.320  0.598  1.0
  Y  Y15  1  0.023  0.180  0.902  1.0
  Y  Y16  1  0.198  0.503  0.750  1.0
  Y  Y17  1  0.698  0.997  0.750  1.0
  Y  Y18  1  0.802  0.497  0.250  1.0
  Y  Y19  1  0.302  0.003  0.250  1.0
  Sn  Sn20  1  0.292  0.033  0.041  1.0
  Sn  Sn21  1  0.792  0.467  0.459  1.0
  Sn  Sn22  1  0.708  0.967  0.541  1.0
  Sn  Sn23  1  0.208  0.533  0.959  1.0
  Sn  Sn24  1  0.708  0.967  0.959  1.0
  Sn  Sn25  1  0.208  0.533  0.541  1.0
  Sn  Sn26  1  0.292  0.033  0.459  1.0
  Sn  Sn27  1  0.792  0.467  0.041  1.0
  Sn  Sn28  1  0.565  0.620  0.750  1.0
  Sn  Sn29  1  0.065  0.880  0.750  1.0
  Sn  Sn30  1  0.435  0.380  0.250  1.0
  Sn  Sn31  1  0.935  0.120  0.250  1.0
  Sn  Sn32  1  0.330  0.147  0.750  1.0
  Sn  Sn33  1  0.830  0.353  0.750  1.0
  Sn  Sn34  1  0.670  0.853  0.250  1.0
  Sn  Sn35  1  0.170  0.647  0.250  1.0
[/CIF]
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