The material structure described by Th(Fe2P)2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 17-coordinate geometry to one Fe(1), one Fe(3), one Fe(6), two equivalent Fe(2), three equivalent Fe(4), three equivalent Fe(5), two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. In the second Th site, Th(2) is bonded in a 16-coordinate geometry to two equivalent Fe(6), four equivalent Fe(3), four equivalent Fe(4), two equivalent P(2), and four equivalent P(1) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Th(1) and two equivalent P(3) atoms. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to two equivalent Th(1), one P(2), and one P(3) atom. In the third Fe site, Fe(3) is bonded in a 3-coordinate geometry to one Th(1), two equivalent Th(2), one P(1), and two equivalent P(2) atoms. In the fourth Fe site, Fe(4) is bonded to two equivalent Th(2), three equivalent Th(1), one P(1), one P(3), and two equivalent P(2) atoms to form distorted FeTh5P4 tetrahedra that share corners with three equivalent Fe(5)Th3P4 tetrahedra, corners with six equivalent Fe(4)Th5P4 tetrahedra,  an edgeedge with one Fe(4)Th5P4 tetrahedra, faces with two equivalent Fe(4)Th5P4 tetrahedra, and faces with three equivalent Fe(5)Th3P4 tetrahedra. In the fifth Fe site, Fe(5) is bonded to three equivalent Th(1), one P(1), one P(2), and two equivalent P(3) atoms to form distorted FeTh3P4 tetrahedra that share corners with three equivalent Fe(4)Th5P4 tetrahedra, corners with four equivalent Fe(5)Th3P4 tetrahedra, edges with two equivalent Fe(5)Th3P4 tetrahedra, and faces with three equivalent Fe(4)Th5P4 tetrahedra. In the sixth Fe site, Fe(6) is bonded in a distorted trigonal non-coplanar geometry to one Th(1), one Th(2), one P(3), and two equivalent P(1) atoms. There are three inequivalent P sites. In the first P site, P(2) is bonded in a 9-coordinate geometry to one Th(2), two equivalent Th(1), one Fe(2), one Fe(5), two equivalent Fe(3), and two equivalent Fe(4) atoms. In the second P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Th(1), one Fe(2), one Fe(4), one Fe(6), two equivalent Fe(1), and two equivalent Fe(5) atoms. In the third P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Th(1), two equivalent Th(2), one Fe(3), one Fe(4), one Fe(5), and two equivalent Fe(6) atoms. is represented by the CIF file [CIF]
data_Th(Fe2P)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.717
_cell_length_b   10.730
_cell_length_c   14.256
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   568.624
_cell_formula_units_Z   6
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  0.500  0.377  0.226  1.0
  Th  Th1  1  0.500  0.623  0.774  1.0
  Th  Th2  1  0.000  0.877  0.274  1.0
  Th  Th3  1  0.000  0.123  0.726  1.0
  Th  Th4  1  0.500  0.500  0.500  1.0
  Th  Th5  1  0.000  0.000  0.000  1.0
  Fe  Fe6  1  0.000  0.078  0.445  1.0
  Fe  Fe7  1  0.500  0.578  0.055  1.0
  Fe  Fe8  1  0.000  0.593  0.947  1.0
  Fe  Fe9  1  0.000  0.407  0.053  1.0
  Fe  Fe10  1  0.500  0.093  0.553  1.0
  Fe  Fe11  1  0.500  0.422  0.945  1.0
  Fe  Fe12  1  0.000  0.261  0.537  1.0
  Fe  Fe13  1  0.000  0.739  0.463  1.0
  Fe  Fe14  1  0.500  0.761  0.963  1.0
  Fe  Fe15  1  0.500  0.239  0.037  1.0
  Fe  Fe16  1  0.000  0.431  0.674  1.0
  Fe  Fe17  1  0.000  0.569  0.326  1.0
  Fe  Fe18  1  0.500  0.931  0.826  1.0
  Fe  Fe19  1  0.500  0.069  0.174  1.0
  Fe  Fe20  1  0.000  0.823  0.711  1.0
  Fe  Fe21  1  0.000  0.177  0.289  1.0
  Fe  Fe22  1  0.500  0.323  0.789  1.0
  Fe  Fe23  1  0.500  0.677  0.211  1.0
  Fe  Fe24  1  0.500  0.235  0.421  1.0
  Fe  Fe25  1  0.500  0.765  0.579  1.0
  Fe  Fe26  1  0.000  0.735  0.079  1.0
  Fe  Fe27  1  0.000  0.265  0.921  1.0
  Fe  Fe28  1  0.500  0.907  0.447  1.0
  Fe  Fe29  1  0.000  0.922  0.555  1.0
  P  P30  1  0.500  0.850  0.114  1.0
  P  P31  1  0.500  0.150  0.886  1.0
  P  P32  1  0.000  0.350  0.386  1.0
  P  P33  1  0.000  0.650  0.614  1.0
  P  P34  1  0.500  0.704  0.368  1.0
  P  P35  1  0.500  0.296  0.632  1.0
  P  P36  1  0.500  0.070  0.335  1.0
  P  P37  1  0.500  0.930  0.665  1.0
  P  P38  1  0.000  0.570  0.165  1.0
  P  P39  1  0.000  0.430  0.835  1.0
  P  P40  1  0.000  0.204  0.132  1.0
  P  P41  1  0.000  0.796  0.868  1.0
[/CIF]
.
The material structure described by Th(Fe2P)2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 17-coordinate geometry to one Fe(1), one Fe(3), one Fe(6), two equivalent Fe(2), three equivalent Fe(4), three equivalent Fe(5), two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. In the second Th site, Th(2) is bonded in a 16-coordinate geometry to two equivalent Fe(6), four equivalent Fe(3), four equivalent Fe(4), two equivalent P(2), and four equivalent P(1) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Th(1) and two equivalent P(3) atoms. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to two equivalent Th(1), one P(2), and one P(3) atom. In the third Fe site, Fe(3) is bonded in a 3-coordinate geometry to one Th(1), two equivalent Th(2), one P(1), and two equivalent P(2) atoms. In the fourth Fe site, Fe(4) is bonded to two equivalent Th(2), three equivalent Th(1), one P(1), one P(3), and two equivalent P(2) atoms to form distorted FeTh5P4 tetrahedra that share corners with three equivalent Fe(5)Th3P4 tetrahedra, corners with six equivalent Fe(4)Th5P4 tetrahedra,  an edgeedge with one Fe(4)Th5P4 tetrahedra, faces with two equivalent Fe(4)Th5P4 tetrahedra, and faces with three equivalent Fe(5)Th3P4 tetrahedra. In the fifth Fe site, Fe(5) is bonded to three equivalent Th(1), one P(1), one P(2), and two equivalent P(3) atoms to form distorted FeTh3P4 tetrahedra that share corners with three equivalent Fe(4)Th5P4 tetrahedra, corners with four equivalent Fe(5)Th3P4 tetrahedra, edges with two equivalent Fe(5)Th3P4 tetrahedra, and faces with three equivalent Fe(4)Th5P4 tetrahedra. In the sixth Fe site, Fe(6) is bonded in a distorted trigonal non-coplanar geometry to one Th(1), one Th(2), one P(3), and two equivalent P(1) atoms. There are three inequivalent P sites. In the first P site, P(2) is bonded in a 9-coordinate geometry to one Th(2), two equivalent Th(1), one Fe(2), one Fe(5), two equivalent Fe(3), and two equivalent Fe(4) atoms. In the second P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Th(1), one Fe(2), one Fe(4), one Fe(6), two equivalent Fe(1), and two equivalent Fe(5) atoms. In the third P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Th(1), two equivalent Th(2), one Fe(3), one Fe(4), one Fe(5), and two equivalent Fe(6) atoms. is represented by the CIF file [CIF]
data_Th(Fe2P)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.717
_cell_length_b   10.730
_cell_length_c   14.256
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   568.624
_cell_formula_units_Z   6
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  0.500  0.377  0.226  1.0
  Th  Th1  1  0.500  0.623  0.774  1.0
  Th  Th2  1  0.000  0.877  0.274  1.0
  Th  Th3  1  0.000  0.123  0.726  1.0
  Th  Th4  1  0.500  0.500  0.500  1.0
  Th  Th5  1  0.000  0.000  0.000  1.0
  Fe  Fe6  1  0.000  0.078  0.445  1.0
  Fe  Fe7  1  0.500  0.578  0.055  1.0
  Fe  Fe8  1  0.000  0.593  0.947  1.0
  Fe  Fe9  1  0.000  0.407  0.053  1.0
  Fe  Fe10  1  0.500  0.093  0.553  1.0
  Fe  Fe11  1  0.500  0.422  0.945  1.0
  Fe  Fe12  1  0.000  0.261  0.537  1.0
  Fe  Fe13  1  0.000  0.739  0.463  1.0
  Fe  Fe14  1  0.500  0.761  0.963  1.0
  Fe  Fe15  1  0.500  0.239  0.037  1.0
  Fe  Fe16  1  0.000  0.431  0.674  1.0
  Fe  Fe17  1  0.000  0.569  0.326  1.0
  Fe  Fe18  1  0.500  0.931  0.826  1.0
  Fe  Fe19  1  0.500  0.069  0.174  1.0
  Fe  Fe20  1  0.000  0.823  0.711  1.0
  Fe  Fe21  1  0.000  0.177  0.289  1.0
  Fe  Fe22  1  0.500  0.323  0.789  1.0
  Fe  Fe23  1  0.500  0.677  0.211  1.0
  Fe  Fe24  1  0.500  0.235  0.421  1.0
  Fe  Fe25  1  0.500  0.765  0.579  1.0
  Fe  Fe26  1  0.000  0.735  0.079  1.0
  Fe  Fe27  1  0.000  0.265  0.921  1.0
  Fe  Fe28  1  0.500  0.907  0.447  1.0
  Fe  Fe29  1  0.000  0.922  0.555  1.0
  P  P30  1  0.500  0.850  0.114  1.0
  P  P31  1  0.500  0.150  0.886  1.0
  P  P32  1  0.000  0.350  0.386  1.0
  P  P33  1  0.000  0.650  0.614  1.0
  P  P34  1  0.500  0.704  0.368  1.0
  P  P35  1  0.500  0.296  0.632  1.0
  P  P36  1  0.500  0.070  0.335  1.0
  P  P37  1  0.500  0.930  0.665  1.0
  P  P38  1  0.000  0.570  0.165  1.0
  P  P39  1  0.000  0.430  0.835  1.0
  P  P40  1  0.000  0.204  0.132  1.0
  P  P41  1  0.000  0.796  0.868  1.0
[/CIF]
.