The material described by Th3Si2 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 3-coordinate geometry to four equivalent Th(2) and three equivalent Si(1) atoms. In the second Th site, Th(2) is bonded in a 10-coordinate geometry to two equivalent Th(2) and eight equivalent Th(1) atoms. Si(1) is bonded in a 4-coordinate geometry to three equivalent Th(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th3Si2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.447
_cell_length_b   9.447
_cell_length_c   3.360
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.800
_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  0.793  0.707  0.500  1.0
  Th  Th1  1  0.293  0.793  0.500  1.0
  Th  Th2  1  0.207  0.293  0.500  1.0
  Th  Th3  1  0.707  0.207  0.500  1.0
  Th  Th4  1  0.500  0.500  0.000  1.0
  Th  Th5  1  0.000  0.000  0.000  1.0
  Si  Si6  1  0.084  0.584  0.500  1.0
  Si  Si7  1  0.584  0.916  0.500  1.0
  Si  Si8  1  0.416  0.084  0.500  1.0
  Si  Si9  1  0.916  0.416  0.500  1.0
[/CIF]
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The material described by Th3Si2 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 3-coordinate geometry to four equivalent Th(2) and three equivalent Si(1) atoms. In the second Th site, Th(2) is bonded in a 10-coordinate geometry to two equivalent Th(2) and eight equivalent Th(1) atoms. Si(1) is bonded in a 4-coordinate geometry to three equivalent Th(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th3Si2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.447
_cell_length_b   9.447
_cell_length_c   3.360
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.800
_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  0.793  0.707  0.500  1.0
  Th  Th1  1  0.293  0.793  0.500  1.0
  Th  Th2  1  0.207  0.293  0.500  1.0
  Th  Th3  1  0.707  0.207  0.500  1.0
  Th  Th4  1  0.500  0.500  0.000  1.0
  Th  Th5  1  0.000  0.000  0.000  1.0
  Si  Si6  1  0.084  0.584  0.500  1.0
  Si  Si7  1  0.584  0.916  0.500  1.0
  Si  Si8  1  0.416  0.084  0.500  1.0
  Si  Si9  1  0.916  0.416  0.500  1.0
[/CIF]
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