The crystal structure described by UThSb4 crystallizes in the tetragonal P4mm space group. U(1) is bonded in a 9-coordinate geometry to one Sb(3), four equivalent Sb(1), and four equivalent Sb(2) atoms. Th(1) is bonded in a 9-coordinate geometry to one Sb(2), four equivalent Sb(1), and four equivalent Sb(3) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent U(1), two equivalent Th(1), and four equivalent Sb(1) atoms. In the second Sb site, Sb(2) is bonded to four equivalent U(1) and one Th(1) atom to form distorted SbThU4 trigonal bipyramids that share corners with four equivalent Sb(2)ThU4 trigonal bipyramids, edges with four equivalent Sb(3)Th4U trigonal bipyramids, and edges with four equivalent Sb(2)ThU4 trigonal bipyramids. In the third Sb site, Sb(3) is bonded to one U(1) and four equivalent Th(1) atoms to form distorted SbTh4U trigonal bipyramids that share corners with four equivalent Sb(3)Th4U trigonal bipyramids, edges with four equivalent Sb(3)Th4U trigonal bipyramids, and edges with four equivalent Sb(2)ThU4 trigonal bipyramids. is represented by the CIF file [CIF]
data_ThUSb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.371
_cell_length_b   4.371
_cell_length_c   9.074
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.333
_cell_formula_units_Z   1
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  0.500  0.500  0.724  1.0
  U  U1  1  0.000  0.000  0.278  1.0
  Sb  Sb2  1  0.500  0.000  0.005  1.0
  Sb  Sb3  1  0.000  0.500  0.005  1.0
  Sb  Sb4  1  0.500  0.500  0.357  1.0
  Sb  Sb5  1  0.000  0.000  0.631  1.0
[/CIF]
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The crystal structure described by UThSb4 crystallizes in the tetragonal P4mm space group. U(1) is bonded in a 9-coordinate geometry to one Sb(3), four equivalent Sb(1), and four equivalent Sb(2) atoms. Th(1) is bonded in a 9-coordinate geometry to one Sb(2), four equivalent Sb(1), and four equivalent Sb(3) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent U(1), two equivalent Th(1), and four equivalent Sb(1) atoms. In the second Sb site, Sb(2) is bonded to four equivalent U(1) and one Th(1) atom to form distorted SbThU4 trigonal bipyramids that share corners with four equivalent Sb(2)ThU4 trigonal bipyramids, edges with four equivalent Sb(3)Th4U trigonal bipyramids, and edges with four equivalent Sb(2)ThU4 trigonal bipyramids. In the third Sb site, Sb(3) is bonded to one U(1) and four equivalent Th(1) atoms to form distorted SbTh4U trigonal bipyramids that share corners with four equivalent Sb(3)Th4U trigonal bipyramids, edges with four equivalent Sb(3)Th4U trigonal bipyramids, and edges with four equivalent Sb(2)ThU4 trigonal bipyramids. is represented by the CIF file [CIF]
data_ThUSb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.371
_cell_length_b   4.371
_cell_length_c   9.074
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.333
_cell_formula_units_Z   1
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  0.500  0.500  0.724  1.0
  U  U1  1  0.000  0.000  0.278  1.0
  Sb  Sb2  1  0.500  0.000  0.005  1.0
  Sb  Sb3  1  0.000  0.500  0.005  1.0
  Sb  Sb4  1  0.500  0.500  0.357  1.0
  Sb  Sb5  1  0.000  0.000  0.631  1.0
[/CIF]
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