The compound described by ThPO5 crystallizes in the orthorhombic Cmce space group. Th(1) is bonded to one O(2), one O(3), two equivalent O(4), and four equivalent O(1) atoms to form distorted ThO8 hexagonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, edges with three equivalent Th(1)O8 hexagonal bipyramids, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Th(1)O8 hexagonal bipyramids and  an edgeedge with one Th(1)O8 hexagonal bipyramid. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one O(4) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one P(1) atom. In the third O site, O(2) is bonded in a linear geometry to one Th(1) and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted linear geometry to one Th(1) and one P(1) atom. is represented by the CIF file [CIF]
data_ThPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.958
_cell_length_b   5.958
_cell_length_c   12.904
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.699
_symmetry_Int_Tables_number   1
_cell_volume   440.919
_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  0.290  0.710  0.424  1.0
  Th  Th1  1  0.710  0.290  0.576  1.0
  Th  Th2  1  0.210  0.790  0.924  1.0
  Th  Th3  1  0.790  0.210  0.076  1.0
  P  P4  1  0.104  0.896  0.638  1.0
  P  P5  1  0.896  0.104  0.362  1.0
  P  P6  1  0.396  0.604  0.138  1.0
  P  P7  1  0.604  0.396  0.862  1.0
  O  O8  1  0.000  0.662  0.578  1.0
  O  O9  1  0.662  0.000  0.422  1.0
  O  O10  1  0.162  0.500  0.078  1.0
  O  O11  1  0.500  0.162  0.922  1.0
  O  O12  1  1.000  0.338  0.422  1.0
  O  O13  1  0.338  1.000  0.578  1.0
  O  O14  1  0.838  0.500  0.922  1.0
  O  O15  1  0.500  0.838  0.078  1.0
  O  O16  1  0.152  0.848  0.752  1.0
  O  O17  1  0.848  0.152  0.248  1.0
  O  O18  1  0.348  0.652  0.252  1.0
  O  O19  1  0.652  0.348  0.748  1.0
  O  O20  1  0.943  0.057  0.631  1.0
  O  O21  1  0.057  0.943  0.369  1.0
  O  O22  1  0.557  0.443  0.131  1.0
  O  O23  1  0.443  0.557  0.869  1.0
  O  O24  1  0.465  0.535  0.552  1.0
  O  O25  1  0.535  0.465  0.448  1.0
  O  O26  1  0.035  0.965  0.052  1.0
  O  O27  1  0.965  0.035  0.948  1.0
[/CIF]
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The compound described by ThPO5 crystallizes in the orthorhombic Cmce space group. Th(1) is bonded to one O(2), one O(3), two equivalent O(4), and four equivalent O(1) atoms to form distorted ThO8 hexagonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, edges with three equivalent Th(1)O8 hexagonal bipyramids, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Th(1)O8 hexagonal bipyramids and  an edgeedge with one Th(1)O8 hexagonal bipyramid. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one O(4) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one P(1) atom. In the third O site, O(2) is bonded in a linear geometry to one Th(1) and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted linear geometry to one Th(1) and one P(1) atom. is represented by the CIF file [CIF]
data_ThPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.958
_cell_length_b   5.958
_cell_length_c   12.904
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.699
_symmetry_Int_Tables_number   1
_cell_volume   440.919
_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  0.290  0.710  0.424  1.0
  Th  Th1  1  0.710  0.290  0.576  1.0
  Th  Th2  1  0.210  0.790  0.924  1.0
  Th  Th3  1  0.790  0.210  0.076  1.0
  P  P4  1  0.104  0.896  0.638  1.0
  P  P5  1  0.896  0.104  0.362  1.0
  P  P6  1  0.396  0.604  0.138  1.0
  P  P7  1  0.604  0.396  0.862  1.0
  O  O8  1  0.000  0.662  0.578  1.0
  O  O9  1  0.662  0.000  0.422  1.0
  O  O10  1  0.162  0.500  0.078  1.0
  O  O11  1  0.500  0.162  0.922  1.0
  O  O12  1  1.000  0.338  0.422  1.0
  O  O13  1  0.338  1.000  0.578  1.0
  O  O14  1  0.838  0.500  0.922  1.0
  O  O15  1  0.500  0.838  0.078  1.0
  O  O16  1  0.152  0.848  0.752  1.0
  O  O17  1  0.848  0.152  0.248  1.0
  O  O18  1  0.348  0.652  0.252  1.0
  O  O19  1  0.652  0.348  0.748  1.0
  O  O20  1  0.943  0.057  0.631  1.0
  O  O21  1  0.057  0.943  0.369  1.0
  O  O22  1  0.557  0.443  0.131  1.0
  O  O23  1  0.443  0.557  0.869  1.0
  O  O24  1  0.465  0.535  0.552  1.0
  O  O25  1  0.535  0.465  0.448  1.0
  O  O26  1  0.035  0.965  0.052  1.0
  O  O27  1  0.965  0.035  0.948  1.0
[/CIF]
.