The crystal structure described by ThSiO4 crystallizes in the monoclinic P2_1/c space group. Th(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and three equivalent O(3) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one Si(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Th(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.505
_cell_length_b   6.767
_cell_length_c   6.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.946
_symmetry_Int_Tables_number   1
_cell_volume   296.364
_cell_formula_units_Z   4
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  0.598  0.782  0.346  1.0
  Th  Th1  1  0.902  0.718  0.846  1.0
  Th  Th2  1  0.402  0.218  0.654  1.0
  Th  Th3  1  0.098  0.282  0.154  1.0
  Si  Si4  1  0.112  0.802  0.338  1.0
  Si  Si5  1  0.388  0.698  0.838  1.0
  Si  Si6  1  0.888  0.198  0.662  1.0
  Si  Si7  1  0.612  0.302  0.162  1.0
  O  O8  1  0.572  0.748  0.002  1.0
  O  O9  1  0.928  0.752  0.502  1.0
  O  O10  1  0.428  0.252  0.998  1.0
  O  O11  1  0.072  0.248  0.498  1.0
  O  O12  1  0.221  0.619  0.286  1.0
  O  O13  1  0.279  0.881  0.786  1.0
  O  O14  1  0.779  0.381  0.714  1.0
  O  O15  1  0.721  0.119  0.214  1.0
  O  O16  1  0.496  0.389  0.339  1.0
  O  O17  1  0.004  0.111  0.839  1.0
  O  O18  1  0.504  0.611  0.661  1.0
  O  O19  1  0.996  0.889  0.161  1.0
  O  O20  1  0.824  0.479  0.106  1.0
  O  O21  1  0.676  0.021  0.606  1.0
  O  O22  1  0.176  0.521  0.894  1.0
  O  O23  1  0.324  0.979  0.394  1.0
[/CIF]
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The crystal structure described by ThSiO4 crystallizes in the monoclinic P2_1/c space group. Th(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and three equivalent O(3) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one Si(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Th(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.505
_cell_length_b   6.767
_cell_length_c   6.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.946
_symmetry_Int_Tables_number   1
_cell_volume   296.364
_cell_formula_units_Z   4
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  0.598  0.782  0.346  1.0
  Th  Th1  1  0.902  0.718  0.846  1.0
  Th  Th2  1  0.402  0.218  0.654  1.0
  Th  Th3  1  0.098  0.282  0.154  1.0
  Si  Si4  1  0.112  0.802  0.338  1.0
  Si  Si5  1  0.388  0.698  0.838  1.0
  Si  Si6  1  0.888  0.198  0.662  1.0
  Si  Si7  1  0.612  0.302  0.162  1.0
  O  O8  1  0.572  0.748  0.002  1.0
  O  O9  1  0.928  0.752  0.502  1.0
  O  O10  1  0.428  0.252  0.998  1.0
  O  O11  1  0.072  0.248  0.498  1.0
  O  O12  1  0.221  0.619  0.286  1.0
  O  O13  1  0.279  0.881  0.786  1.0
  O  O14  1  0.779  0.381  0.714  1.0
  O  O15  1  0.721  0.119  0.214  1.0
  O  O16  1  0.496  0.389  0.339  1.0
  O  O17  1  0.004  0.111  0.839  1.0
  O  O18  1  0.504  0.611  0.661  1.0
  O  O19  1  0.996  0.889  0.161  1.0
  O  O20  1  0.824  0.479  0.106  1.0
  O  O21  1  0.676  0.021  0.606  1.0
  O  O22  1  0.176  0.521  0.894  1.0
  O  O23  1  0.324  0.979  0.394  1.0
[/CIF]
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