The structure described by Th5Sn4 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 8-coordinate geometry to two equivalent Th(1) and six equivalent Sn(2) atoms. In the second Th site, Th(2) is bonded to two equivalent Sn(1) and five equivalent Sn(2) atoms to form a mixture of distorted edge, corner, and face-sharing ThSn7 pentagonal bipyramids. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to six equivalent Th(2) atoms to form distorted face-sharing SnTh6 octahedra. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to four equivalent Th(1) and five equivalent Th(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th5Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.727
_cell_length_b   9.727
_cell_length_c   6.571
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   538.448
_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
  Th  Th0  1  0.333  0.667  1.000  1.0
  Th  Th1  1  0.667  0.333  0.500  1.0
  Th  Th2  1  0.667  0.333  1.000  1.0
  Th  Th3  1  0.333  0.667  0.500  1.0
  Th  Th4  1  0.279  0.000  0.250  1.0
  Th  Th5  1  0.279  0.279  0.750  1.0
  Th  Th6  1  1.000  0.721  0.750  1.0
  Th  Th7  1  1.000  0.279  0.250  1.0
  Th  Th8  1  0.721  0.721  0.250  1.0
  Th  Th9  1  0.721  0.000  0.750  1.0
  Sn  Sn10  1  0.000  0.000  1.000  1.0
  Sn  Sn11  1  0.000  0.000  0.500  1.0
  Sn  Sn12  1  0.619  0.000  0.250  1.0
  Sn  Sn13  1  0.619  0.619  0.750  1.0
  Sn  Sn14  1  1.000  0.381  0.750  1.0
  Sn  Sn15  1  1.000  0.619  0.250  1.0
  Sn  Sn16  1  0.381  0.381  0.250  1.0
  Sn  Sn17  1  0.381  0.000  0.750  1.0
[/CIF]
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The structure described by Th5Sn4 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 8-coordinate geometry to two equivalent Th(1) and six equivalent Sn(2) atoms. In the second Th site, Th(2) is bonded to two equivalent Sn(1) and five equivalent Sn(2) atoms to form a mixture of distorted edge, corner, and face-sharing ThSn7 pentagonal bipyramids. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to six equivalent Th(2) atoms to form distorted face-sharing SnTh6 octahedra. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to four equivalent Th(1) and five equivalent Th(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th5Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.727
_cell_length_b   9.727
_cell_length_c   6.571
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   538.448
_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
  Th  Th0  1  0.333  0.667  1.000  1.0
  Th  Th1  1  0.667  0.333  0.500  1.0
  Th  Th2  1  0.667  0.333  1.000  1.0
  Th  Th3  1  0.333  0.667  0.500  1.0
  Th  Th4  1  0.279  0.000  0.250  1.0
  Th  Th5  1  0.279  0.279  0.750  1.0
  Th  Th6  1  1.000  0.721  0.750  1.0
  Th  Th7  1  1.000  0.279  0.250  1.0
  Th  Th8  1  0.721  0.721  0.250  1.0
  Th  Th9  1  0.721  0.000  0.750  1.0
  Sn  Sn10  1  0.000  0.000  1.000  1.0
  Sn  Sn11  1  0.000  0.000  0.500  1.0
  Sn  Sn12  1  0.619  0.000  0.250  1.0
  Sn  Sn13  1  0.619  0.619  0.750  1.0
  Sn  Sn14  1  1.000  0.381  0.750  1.0
  Sn  Sn15  1  1.000  0.619  0.250  1.0
  Sn  Sn16  1  0.381  0.381  0.250  1.0
  Sn  Sn17  1  0.381  0.000  0.750  1.0
[/CIF]
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