The compound described by Th3In5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 9-coordinate geometry to one In(1), four equivalent In(2), and four equivalent In(3) atoms. In the second Th site, Th(2) is bonded in a 10-coordinate geometry to two equivalent In(1), four equivalent In(2), and four equivalent In(3) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to one Th(1), four equivalent Th(2), two equivalent In(2), and two equivalent In(3) atoms. In the second In site, In(2) is bonded in a 10-coordinate geometry to two equivalent Th(1), four equivalent Th(2), one In(1), one In(2), and two equivalent In(3) atoms. In the third In site, In(3) is bonded in a 9-coordinate geometry to two equivalent Th(1), four equivalent Th(2), one In(1), and two equivalent In(2) atoms. is represented by the CIF file [CIF]
data_Th3In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.614
_cell_length_b   6.614
_cell_length_c   10.402
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   102.339
_symmetry_Int_Tables_number   1
_cell_volume   444.579
_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  0.632  0.632  0.250  1.0
  Th  Th1  1  0.368  0.368  0.750  1.0
  Th  Th2  1  0.794  0.206  0.500  1.0
  Th  Th3  1  0.794  0.206  1.000  1.0
  Th  Th4  1  0.206  0.794  0.500  1.0
  Th  Th5  1  0.206  0.794  1.000  1.0
  In  In6  1  0.019  0.019  0.250  1.0
  In  In7  1  0.981  0.981  0.750  1.0
  In  In8  1  0.307  0.307  0.051  1.0
  In  In9  1  0.693  0.693  0.949  1.0
  In  In10  1  0.307  0.307  0.449  1.0
  In  In11  1  0.693  0.693  0.551  1.0
  In  In12  1  0.075  0.492  0.250  1.0
  In  In13  1  0.508  0.925  0.750  1.0
  In  In14  1  0.925  0.508  0.750  1.0
  In  In15  1  0.492  0.075  0.250  1.0
[/CIF]
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The compound described by Th3In5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 9-coordinate geometry to one In(1), four equivalent In(2), and four equivalent In(3) atoms. In the second Th site, Th(2) is bonded in a 10-coordinate geometry to two equivalent In(1), four equivalent In(2), and four equivalent In(3) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to one Th(1), four equivalent Th(2), two equivalent In(2), and two equivalent In(3) atoms. In the second In site, In(2) is bonded in a 10-coordinate geometry to two equivalent Th(1), four equivalent Th(2), one In(1), one In(2), and two equivalent In(3) atoms. In the third In site, In(3) is bonded in a 9-coordinate geometry to two equivalent Th(1), four equivalent Th(2), one In(1), and two equivalent In(2) atoms. is represented by the CIF file [CIF]
data_Th3In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.614
_cell_length_b   6.614
_cell_length_c   10.402
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   102.339
_symmetry_Int_Tables_number   1
_cell_volume   444.579
_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  0.632  0.632  0.250  1.0
  Th  Th1  1  0.368  0.368  0.750  1.0
  Th  Th2  1  0.794  0.206  0.500  1.0
  Th  Th3  1  0.794  0.206  1.000  1.0
  Th  Th4  1  0.206  0.794  0.500  1.0
  Th  Th5  1  0.206  0.794  1.000  1.0
  In  In6  1  0.019  0.019  0.250  1.0
  In  In7  1  0.981  0.981  0.750  1.0
  In  In8  1  0.307  0.307  0.051  1.0
  In  In9  1  0.693  0.693  0.949  1.0
  In  In10  1  0.307  0.307  0.449  1.0
  In  In11  1  0.693  0.693  0.551  1.0
  In  In12  1  0.075  0.492  0.250  1.0
  In  In13  1  0.508  0.925  0.750  1.0
  In  In14  1  0.925  0.508  0.750  1.0
  In  In15  1  0.492  0.075  0.250  1.0
[/CIF]
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