The crystal structure described by Th3Ni4In13 crystallizes in the cubic Pm-3n space group. Th(1) is bonded in a 16-coordinate geometry to four equivalent Ni(1) and twelve equivalent In(2) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Th(1) and six equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(2) is bonded in a 2-coordinate geometry to three equivalent Th(1), two equivalent Ni(1), and one In(1) atom. In the second In site, In(1) is bonded in a cuboctahedral geometry to twelve equivalent In(2) atoms. is represented by the CIF file [CIF]
data_Th3In13Ni4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.657
_cell_length_b   9.657
_cell_length_c   9.657
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   900.713
_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  0.250  0.000  0.500  1.0
  Th  Th1  1  0.750  0.000  0.500  1.0
  Th  Th2  1  0.500  0.250  0.000  1.0
  Th  Th3  1  0.500  0.750  0.000  1.0
  Th  Th4  1  0.000  0.500  0.250  1.0
  Th  Th5  1  0.000  0.500  0.750  1.0
  In  In6  1  0.000  0.000  0.000  1.0
  In  In7  1  0.500  0.500  0.500  1.0
  In  In8  1  0.000  0.155  0.305  1.0
  In  In9  1  0.000  0.845  0.695  1.0
  In  In10  1  0.000  0.845  0.305  1.0
  In  In11  1  0.000  0.155  0.695  1.0
  In  In12  1  0.305  0.000  0.155  1.0
  In  In13  1  0.655  0.500  0.195  1.0
  In  In14  1  0.695  0.000  0.845  1.0
  In  In15  1  0.345  0.500  0.805  1.0
  In  In16  1  0.305  0.000  0.845  1.0
  In  In17  1  0.345  0.500  0.195  1.0
  In  In18  1  0.695  0.000  0.155  1.0
  In  In19  1  0.655  0.500  0.805  1.0
  In  In20  1  0.155  0.305  0.000  1.0
  In  In21  1  0.500  0.805  0.345  1.0
  In  In22  1  0.845  0.695  0.000  1.0
  In  In23  1  0.500  0.195  0.655  1.0
  In  In24  1  0.155  0.695  0.000  1.0
  In  In25  1  0.500  0.195  0.345  1.0
  In  In26  1  0.845  0.305  0.000  1.0
  In  In27  1  0.500  0.805  0.655  1.0
  In  In28  1  0.195  0.655  0.500  1.0
  In  In29  1  0.805  0.345  0.500  1.0
  In  In30  1  0.195  0.345  0.500  1.0
  In  In31  1  0.805  0.655  0.500  1.0
  Ni  Ni32  1  0.250  0.250  0.250  1.0
  Ni  Ni33  1  0.750  0.750  0.750  1.0
  Ni  Ni34  1  0.750  0.750  0.250  1.0
  Ni  Ni35  1  0.750  0.250  0.750  1.0
  Ni  Ni36  1  0.250  0.250  0.750  1.0
  Ni  Ni37  1  0.250  0.750  0.250  1.0
  Ni  Ni38  1  0.250  0.750  0.750  1.0
  Ni  Ni39  1  0.750  0.250  0.250  1.0
[/CIF]
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The crystal structure described by Th3Ni4In13 crystallizes in the cubic Pm-3n space group. Th(1) is bonded in a 16-coordinate geometry to four equivalent Ni(1) and twelve equivalent In(2) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Th(1) and six equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(2) is bonded in a 2-coordinate geometry to three equivalent Th(1), two equivalent Ni(1), and one In(1) atom. In the second In site, In(1) is bonded in a cuboctahedral geometry to twelve equivalent In(2) atoms. is represented by the CIF file [CIF]
data_Th3In13Ni4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.657
_cell_length_b   9.657
_cell_length_c   9.657
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   900.713
_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  0.250  0.000  0.500  1.0
  Th  Th1  1  0.750  0.000  0.500  1.0
  Th  Th2  1  0.500  0.250  0.000  1.0
  Th  Th3  1  0.500  0.750  0.000  1.0
  Th  Th4  1  0.000  0.500  0.250  1.0
  Th  Th5  1  0.000  0.500  0.750  1.0
  In  In6  1  0.000  0.000  0.000  1.0
  In  In7  1  0.500  0.500  0.500  1.0
  In  In8  1  0.000  0.155  0.305  1.0
  In  In9  1  0.000  0.845  0.695  1.0
  In  In10  1  0.000  0.845  0.305  1.0
  In  In11  1  0.000  0.155  0.695  1.0
  In  In12  1  0.305  0.000  0.155  1.0
  In  In13  1  0.655  0.500  0.195  1.0
  In  In14  1  0.695  0.000  0.845  1.0
  In  In15  1  0.345  0.500  0.805  1.0
  In  In16  1  0.305  0.000  0.845  1.0
  In  In17  1  0.345  0.500  0.195  1.0
  In  In18  1  0.695  0.000  0.155  1.0
  In  In19  1  0.655  0.500  0.805  1.0
  In  In20  1  0.155  0.305  0.000  1.0
  In  In21  1  0.500  0.805  0.345  1.0
  In  In22  1  0.845  0.695  0.000  1.0
  In  In23  1  0.500  0.195  0.655  1.0
  In  In24  1  0.155  0.695  0.000  1.0
  In  In25  1  0.500  0.195  0.345  1.0
  In  In26  1  0.845  0.305  0.000  1.0
  In  In27  1  0.500  0.805  0.655  1.0
  In  In28  1  0.195  0.655  0.500  1.0
  In  In29  1  0.805  0.345  0.500  1.0
  In  In30  1  0.195  0.345  0.500  1.0
  In  In31  1  0.805  0.655  0.500  1.0
  Ni  Ni32  1  0.250  0.250  0.250  1.0
  Ni  Ni33  1  0.750  0.750  0.750  1.0
  Ni  Ni34  1  0.750  0.750  0.250  1.0
  Ni  Ni35  1  0.750  0.250  0.750  1.0
  Ni  Ni36  1  0.250  0.250  0.750  1.0
  Ni  Ni37  1  0.250  0.750  0.250  1.0
  Ni  Ni38  1  0.250  0.750  0.750  1.0
  Ni  Ni39  1  0.750  0.250  0.250  1.0
[/CIF]
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