The structure described by U5Sn4 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to two equivalent U(1) and six equivalent Sn(2) atoms. In the second U site, U(2) is bonded to two equivalent Sn(1) and five equivalent Sn(2) atoms to form a mixture of distorted corner, face, and edge-sharing USn7 pentagonal bipyramids. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to six equivalent U(2) and two equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to four equivalent U(1) and five equivalent U(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U5Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.354
_cell_length_b   9.354
_cell_length_c   6.190
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   469.046
_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
  U  U0  1  0.333  0.667  0.000  1.0
  U  U1  1  0.667  0.333  0.000  1.0
  U  U2  1  0.667  0.333  0.500  1.0
  U  U3  1  0.333  0.667  0.500  1.0
  U  U4  1  0.289  0.000  0.250  1.0
  U  U5  1  0.711  0.000  0.750  1.0
  U  U6  1  0.000  0.289  0.250  1.0
  U  U7  1  0.000  0.711  0.750  1.0
  U  U8  1  0.711  0.711  0.250  1.0
  U  U9  1  0.289  0.289  0.750  1.0
  Sn  Sn10  1  0.000  0.000  0.000  1.0
  Sn  Sn11  1  0.000  0.000  0.500  1.0
  Sn  Sn12  1  0.626  0.000  0.250  1.0
  Sn  Sn13  1  0.374  0.000  0.750  1.0
  Sn  Sn14  1  0.000  0.626  0.250  1.0
  Sn  Sn15  1  0.000  0.374  0.750  1.0
  Sn  Sn16  1  0.374  0.374  0.250  1.0
  Sn  Sn17  1  0.626  0.626  0.750  1.0
[/CIF]
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The structure described by U5Sn4 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to two equivalent U(1) and six equivalent Sn(2) atoms. In the second U site, U(2) is bonded to two equivalent Sn(1) and five equivalent Sn(2) atoms to form a mixture of distorted corner, face, and edge-sharing USn7 pentagonal bipyramids. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to six equivalent U(2) and two equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to four equivalent U(1) and five equivalent U(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U5Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.354
_cell_length_b   9.354
_cell_length_c   6.190
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   469.046
_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
  U  U0  1  0.333  0.667  0.000  1.0
  U  U1  1  0.667  0.333  0.000  1.0
  U  U2  1  0.667  0.333  0.500  1.0
  U  U3  1  0.333  0.667  0.500  1.0
  U  U4  1  0.289  0.000  0.250  1.0
  U  U5  1  0.711  0.000  0.750  1.0
  U  U6  1  0.000  0.289  0.250  1.0
  U  U7  1  0.000  0.711  0.750  1.0
  U  U8  1  0.711  0.711  0.250  1.0
  U  U9  1  0.289  0.289  0.750  1.0
  Sn  Sn10  1  0.000  0.000  0.000  1.0
  Sn  Sn11  1  0.000  0.000  0.500  1.0
  Sn  Sn12  1  0.626  0.000  0.250  1.0
  Sn  Sn13  1  0.374  0.000  0.750  1.0
  Sn  Sn14  1  0.000  0.626  0.250  1.0
  Sn  Sn15  1  0.000  0.374  0.750  1.0
  Sn  Sn16  1  0.374  0.374  0.250  1.0
  Sn  Sn17  1  0.626  0.626  0.750  1.0
[/CIF]
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