The compound described by Th3Sm2O9 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(4) atoms. In the second Th site, Th(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(4) atoms. Sm(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) 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)Sm2Th2 tetrahedra, corners with two equivalent O(4)Th4 tetrahedra, corners with four equivalent O(2)Sm2Th2 tetrahedra, corners with eight equivalent O(1)Th4 tetrahedra,  an edgeedge with one O(3)Sm2Th2 tetrahedra, and edges with five equivalent O(4)Th4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Th(1) and two equivalent Sm(1) atoms to form OSm2Th2 tetrahedra that share corners with two equivalent O(5)Sm4 tetrahedra, corners with two equivalent O(4)Th4 tetrahedra, corners with four equivalent O(2)Sm2Th2 tetrahedra, corners with four equivalent O(1)Th4 tetrahedra,  an edgeedge with one O(5)Sm4 tetrahedra,  an edgeedge with one O(4)Th4 tetrahedra, and edges with four equivalent O(3)Sm2Th2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Th(1) and two equivalent Sm(1) atoms to form OSm2Th2 tetrahedra that share corners with two equivalent O(1)Th4 tetrahedra, corners with four equivalent O(3)Sm2Th2 tetrahedra, corners with four equivalent O(5)Sm4 tetrahedra, corners with four equivalent O(4)Th4 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra, and edges with four equivalent O(2)Sm2Th2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Th(1) and two equivalent Th(2) atoms to form OTh4 tetrahedra that share corners with two equivalent O(2)Sm2Th2 tetrahedra, corners with two equivalent O(1)Th4 tetrahedra, corners with four equivalent O(3)Sm2Th2 tetrahedra, corners with eight equivalent O(4)Th4 tetrahedra,  an edgeedge with one O(2)Sm2Th2 tetrahedra, and edges with five equivalent O(1)Th4 tetrahedra. In the fifth O site, O(5) is bonded to four equivalent Sm(1) atoms to form OSm4 tetrahedra that share corners with four equivalent O(2)Sm2Th2 tetrahedra, corners with four equivalent O(5)Sm4 tetrahedra, corners with eight equivalent O(3)Sm2Th2 tetrahedra, and edges with two equivalent O(2)Sm2Th2 tetrahedra. is represented by the CIF card [CIF]
data_Sm2Th3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.286
_cell_length_b   14.286
_cell_length_c   14.286
_cell_angle_alpha   164.066
_cell_angle_beta   164.066
_cell_angle_gamma   22.608
_symmetry_Int_Tables_number   1
_cell_volume   219.709
_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
  Sm  Sm0  1  0.806  0.806  0.000  1.0
  Sm  Sm1  1  0.194  0.194  0.000  1.0
  Th  Th2  1  0.400  0.400  0.000  1.0
  Th  Th3  1  0.000  0.000  0.000  1.0
  Th  Th4  1  0.600  0.600  0.000  1.0
  O  O5  1  0.053  0.553  0.500  1.0
  O  O6  1  0.646  0.146  0.500  1.0
  O  O7  1  0.854  0.354  0.500  1.0
  O  O8  1  0.344  0.844  0.500  1.0
  O  O9  1  0.447  0.947  0.500  1.0
  O  O10  1  0.953  0.453  0.500  1.0
  O  O11  1  0.547  0.047  0.500  1.0
  O  O12  1  0.156  0.656  0.500  1.0
  O  O13  1  0.750  0.250  0.500  1.0
[/CIF]
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The compound described by Th3Sm2O9 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(4) atoms. In the second Th site, Th(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(4) atoms. Sm(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) 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)Sm2Th2 tetrahedra, corners with two equivalent O(4)Th4 tetrahedra, corners with four equivalent O(2)Sm2Th2 tetrahedra, corners with eight equivalent O(1)Th4 tetrahedra,  an edgeedge with one O(3)Sm2Th2 tetrahedra, and edges with five equivalent O(4)Th4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Th(1) and two equivalent Sm(1) atoms to form OSm2Th2 tetrahedra that share corners with two equivalent O(5)Sm4 tetrahedra, corners with two equivalent O(4)Th4 tetrahedra, corners with four equivalent O(2)Sm2Th2 tetrahedra, corners with four equivalent O(1)Th4 tetrahedra,  an edgeedge with one O(5)Sm4 tetrahedra,  an edgeedge with one O(4)Th4 tetrahedra, and edges with four equivalent O(3)Sm2Th2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Th(1) and two equivalent Sm(1) atoms to form OSm2Th2 tetrahedra that share corners with two equivalent O(1)Th4 tetrahedra, corners with four equivalent O(3)Sm2Th2 tetrahedra, corners with four equivalent O(5)Sm4 tetrahedra, corners with four equivalent O(4)Th4 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra, and edges with four equivalent O(2)Sm2Th2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Th(1) and two equivalent Th(2) atoms to form OTh4 tetrahedra that share corners with two equivalent O(2)Sm2Th2 tetrahedra, corners with two equivalent O(1)Th4 tetrahedra, corners with four equivalent O(3)Sm2Th2 tetrahedra, corners with eight equivalent O(4)Th4 tetrahedra,  an edgeedge with one O(2)Sm2Th2 tetrahedra, and edges with five equivalent O(1)Th4 tetrahedra. In the fifth O site, O(5) is bonded to four equivalent Sm(1) atoms to form OSm4 tetrahedra that share corners with four equivalent O(2)Sm2Th2 tetrahedra, corners with four equivalent O(5)Sm4 tetrahedra, corners with eight equivalent O(3)Sm2Th2 tetrahedra, and edges with two equivalent O(2)Sm2Th2 tetrahedra. is represented by the CIF card [CIF]
data_Sm2Th3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.286
_cell_length_b   14.286
_cell_length_c   14.286
_cell_angle_alpha   164.066
_cell_angle_beta   164.066
_cell_angle_gamma   22.608
_symmetry_Int_Tables_number   1
_cell_volume   219.709
_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
  Sm  Sm0  1  0.806  0.806  0.000  1.0
  Sm  Sm1  1  0.194  0.194  0.000  1.0
  Th  Th2  1  0.400  0.400  0.000  1.0
  Th  Th3  1  0.000  0.000  0.000  1.0
  Th  Th4  1  0.600  0.600  0.000  1.0
  O  O5  1  0.053  0.553  0.500  1.0
  O  O6  1  0.646  0.146  0.500  1.0
  O  O7  1  0.854  0.354  0.500  1.0
  O  O8  1  0.344  0.844  0.500  1.0
  O  O9  1  0.447  0.947  0.500  1.0
  O  O10  1  0.953  0.453  0.500  1.0
  O  O11  1  0.547  0.047  0.500  1.0
  O  O12  1  0.156  0.656  0.500  1.0
  O  O13  1  0.750  0.250  0.500  1.0
[/CIF]
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