The material structure described by PPTh is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. Th(1) is bonded in a 9-coordinate geometry to four equivalent P(1) and five equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(2) is bonded to five equivalent Th(1) atoms to form a mixture of distorted edge and corner-sharing PTh5 trigonal bipyramids. In the second P site, P(1) is bonded in a 6-coordinate geometry to four equivalent Th(1) and two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_ThP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.865
_cell_length_b   7.246
_cell_length_c   9.427
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.035
_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  0.250  0.300  0.847  1.0
  Th  Th1  1  0.250  0.800  0.653  1.0
  Th  Th2  1  0.750  0.700  0.153  1.0
  Th  Th3  1  0.750  0.200  0.347  1.0
  P  P4  1  0.250  0.918  0.961  1.0
  P  P5  1  0.250  0.418  0.539  1.0
  P  P6  1  0.750  0.082  0.039  1.0
  P  P7  1  0.750  0.582  0.461  1.0
  P  P8  1  0.250  0.896  0.340  1.0
  P  P9  1  0.250  0.396  0.160  1.0
  P  P10  1  0.750  0.104  0.660  1.0
  P  P11  1  0.750  0.604  0.840  1.0
[/CIF]
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The material structure described by PPTh is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. Th(1) is bonded in a 9-coordinate geometry to four equivalent P(1) and five equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(2) is bonded to five equivalent Th(1) atoms to form a mixture of distorted edge and corner-sharing PTh5 trigonal bipyramids. In the second P site, P(1) is bonded in a 6-coordinate geometry to four equivalent Th(1) and two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_ThP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.865
_cell_length_b   7.246
_cell_length_c   9.427
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.035
_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  0.250  0.300  0.847  1.0
  Th  Th1  1  0.250  0.800  0.653  1.0
  Th  Th2  1  0.750  0.700  0.153  1.0
  Th  Th3  1  0.750  0.200  0.347  1.0
  P  P4  1  0.250  0.918  0.961  1.0
  P  P5  1  0.250  0.418  0.539  1.0
  P  P6  1  0.750  0.082  0.039  1.0
  P  P7  1  0.750  0.582  0.461  1.0
  P  P8  1  0.250  0.896  0.340  1.0
  P  P9  1  0.250  0.396  0.160  1.0
  P  P10  1  0.750  0.104  0.660  1.0
  P  P11  1  0.750  0.604  0.840  1.0
[/CIF]
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