The material structure described by Th3La2O9 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the second Th site, Th(2) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(5) atoms. La(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Th(1) and two equivalent La(1) atoms to form OLa2Th2 tetrahedra that share corners with two equivalent O(4)La4 tetrahedra, corners with two equivalent O(5)Th4 tetrahedra, corners with four equivalent O(1)La2Th2 tetrahedra, corners with four equivalent O(2)Th4 tetrahedra,  an edgeedge with one O(4)La4 tetrahedra,  an edgeedge with one O(5)Th4 tetrahedra, and edges with four equivalent O(3)La2Th2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Th(1) and two equivalent Th(2) atoms to form OTh4 tetrahedra that share corners with two equivalent O(3)La2Th2 tetrahedra, corners with two equivalent O(5)Th4 tetrahedra, corners with four equivalent O(1)La2Th2 tetrahedra, corners with eight equivalent O(2)Th4 tetrahedra,  an edgeedge with one O(3)La2Th2 tetrahedra, and edges with five equivalent O(5)Th4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Th(1) and two equivalent La(1) atoms to form OLa2Th2 tetrahedra that share corners with two equivalent O(2)Th4 tetrahedra, corners with four equivalent O(3)La2Th2 tetrahedra, corners with four equivalent O(4)La4 tetrahedra, corners with four equivalent O(5)Th4 tetrahedra,  an edgeedge with one O(2)Th4 tetrahedra, and edges with four equivalent O(1)La2Th2 tetrahedra. In the fourth O site, O(4) is bonded to four equivalent La(1) atoms to form OLa4 tetrahedra that share corners with four equivalent O(1)La2Th2 tetrahedra, corners with four equivalent O(4)La4 tetrahedra, corners with eight equivalent O(3)La2Th2 tetrahedra, and edges with two equivalent O(1)La2Th2 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Th(1) and two equivalent Th(2) atoms to form OTh4 tetrahedra that share corners with two equivalent O(1)La2Th2 tetrahedra, corners with two equivalent O(2)Th4 tetrahedra, corners with four equivalent O(3)La2Th2 tetrahedra, corners with eight equivalent O(5)Th4 tetrahedra,  an edgeedge with one O(1)La2Th2 tetrahedra, and edges with five equivalent O(2)Th4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2Th3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.519
_cell_length_b   14.519
_cell_length_c   14.519
_cell_angle_alpha   164.210
_cell_angle_beta   164.210
_cell_angle_gamma   22.402
_symmetry_Int_Tables_number   1
_cell_volume   226.589
_cell_formula_units_Z   1
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
  La  La0  1  0.443  0.943  0.500  1.0
  La  La1  1  0.057  0.557  0.500  1.0
  Th  Th2  1  0.652  0.152  0.500  1.0
  Th  Th3  1  0.250  0.750  0.500  1.0
  Th  Th4  1  0.848  0.348  0.500  1.0
  O  O5  1  0.106  0.106  0.000  1.0
  O  O6  1  0.699  0.699  0.000  1.0
  O  O7  1  0.301  0.301  0.000  1.0
  O  O8  1  0.894  0.894  0.000  1.0
  O  O9  1  0.402  0.402  0.000  1.0
  O  O10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.598  0.598  0.000  1.0
  O  O12  1  0.203  0.203  0.000  1.0
  O  O13  1  0.797  0.797  0.000  1.0
[/CIF]
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The material structure described by Th3La2O9 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the second Th site, Th(2) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(5) atoms. La(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Th(1) and two equivalent La(1) atoms to form OLa2Th2 tetrahedra that share corners with two equivalent O(4)La4 tetrahedra, corners with two equivalent O(5)Th4 tetrahedra, corners with four equivalent O(1)La2Th2 tetrahedra, corners with four equivalent O(2)Th4 tetrahedra,  an edgeedge with one O(4)La4 tetrahedra,  an edgeedge with one O(5)Th4 tetrahedra, and edges with four equivalent O(3)La2Th2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Th(1) and two equivalent Th(2) atoms to form OTh4 tetrahedra that share corners with two equivalent O(3)La2Th2 tetrahedra, corners with two equivalent O(5)Th4 tetrahedra, corners with four equivalent O(1)La2Th2 tetrahedra, corners with eight equivalent O(2)Th4 tetrahedra,  an edgeedge with one O(3)La2Th2 tetrahedra, and edges with five equivalent O(5)Th4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Th(1) and two equivalent La(1) atoms to form OLa2Th2 tetrahedra that share corners with two equivalent O(2)Th4 tetrahedra, corners with four equivalent O(3)La2Th2 tetrahedra, corners with four equivalent O(4)La4 tetrahedra, corners with four equivalent O(5)Th4 tetrahedra,  an edgeedge with one O(2)Th4 tetrahedra, and edges with four equivalent O(1)La2Th2 tetrahedra. In the fourth O site, O(4) is bonded to four equivalent La(1) atoms to form OLa4 tetrahedra that share corners with four equivalent O(1)La2Th2 tetrahedra, corners with four equivalent O(4)La4 tetrahedra, corners with eight equivalent O(3)La2Th2 tetrahedra, and edges with two equivalent O(1)La2Th2 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Th(1) and two equivalent Th(2) atoms to form OTh4 tetrahedra that share corners with two equivalent O(1)La2Th2 tetrahedra, corners with two equivalent O(2)Th4 tetrahedra, corners with four equivalent O(3)La2Th2 tetrahedra, corners with eight equivalent O(5)Th4 tetrahedra,  an edgeedge with one O(1)La2Th2 tetrahedra, and edges with five equivalent O(2)Th4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2Th3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.519
_cell_length_b   14.519
_cell_length_c   14.519
_cell_angle_alpha   164.210
_cell_angle_beta   164.210
_cell_angle_gamma   22.402
_symmetry_Int_Tables_number   1
_cell_volume   226.589
_cell_formula_units_Z   1
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
  La  La0  1  0.443  0.943  0.500  1.0
  La  La1  1  0.057  0.557  0.500  1.0
  Th  Th2  1  0.652  0.152  0.500  1.0
  Th  Th3  1  0.250  0.750  0.500  1.0
  Th  Th4  1  0.848  0.348  0.500  1.0
  O  O5  1  0.106  0.106  0.000  1.0
  O  O6  1  0.699  0.699  0.000  1.0
  O  O7  1  0.301  0.301  0.000  1.0
  O  O8  1  0.894  0.894  0.000  1.0
  O  O9  1  0.402  0.402  0.000  1.0
  O  O10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.598  0.598  0.000  1.0
  O  O12  1  0.203  0.203  0.000  1.0
  O  O13  1  0.797  0.797  0.000  1.0
[/CIF]
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