The compound described by Th5Y2O13 crystallizes in the trigonal R3m space group. There are five inequivalent Th sites. In the first Th site, Th(1) is bonded in a body-centered cubic geometry to one O(1), one O(4), three equivalent O(3), and three equivalent O(5) atoms. In the second Th site, Th(2) is bonded in a body-centered cubic geometry to one O(3), one O(7), three equivalent O(4), and three equivalent O(6) atoms. In the third Th site, Th(3) is bonded in a body-centered cubic geometry to one O(10), one O(6), three equivalent O(7), and three equivalent O(9) atoms. In the fourth Th site, Th(4) is bonded in a body-centered cubic geometry to one O(12), one O(8), three equivalent O(11), and three equivalent O(13) atoms. In the fifth Th site, Th(5) is bonded in a body-centered cubic geometry to one O(11), one O(9), three equivalent O(10), and three equivalent O(8) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(13), one O(2), and three equivalent O(12) atoms to form corner-sharing YO5 trigonal bipyramids. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(5), three equivalent O(1), and three equivalent O(2) atoms. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Th(1) and three equivalent Y(2) atoms to form OY3Th tetrahedra that share  a cornercorner with one O(4)Th4 tetrahedra, corners with three equivalent O(3)Th4 tetrahedra, corners with three equivalent O(2)Y4 tetrahedra, corners with six equivalent O(1)Y3Th tetrahedra, edges with three equivalent O(2)Y4 tetrahedra, and edges with three equivalent O(5)YTh3 tetrahedra. In the second O site, O(2) is bonded to one Y(1) and three equivalent Y(2) atoms to form distorted OY4 tetrahedra that share  a cornercorner with one O(13)YTh3 tetrahedra, corners with three equivalent O(1)Y3Th tetrahedra, corners with three equivalent O(12)Y3Th tetrahedra, corners with three equivalent O(5)YTh3 tetrahedra, corners with six equivalent O(2)Y4 tetrahedra, and edges with three equivalent O(1)Y3Th tetrahedra. In the third O site, O(3) is bonded to one Th(2) and three equivalent Th(1) atoms to form OTh4 tetrahedra that share  a cornercorner with one O(7)Th4 tetrahedra, corners with three equivalent O(6)Th4 tetrahedra, corners with three equivalent O(1)Y3Th tetrahedra, corners with three equivalent O(5)YTh3 tetrahedra, corners with six equivalent O(3)Th4 tetrahedra, edges with three equivalent O(4)Th4 tetrahedra, and edges with three equivalent O(5)YTh3 tetrahedra. In the fourth O site, O(4) is bonded to one Th(1) and three equivalent Th(2) atoms to form OTh4 tetrahedra that share  a cornercorner with one O(1)Y3Th tetrahedra, corners with three equivalent O(6)Th4 tetrahedra, corners with three equivalent O(7)Th4 tetrahedra, corners with three equivalent O(5)YTh3 tetrahedra, corners with six equivalent O(4)Th4 tetrahedra, edges with three equivalent O(3)Th4 tetrahedra, and edges with three equivalent O(6)Th4 tetrahedra. In the fifth O site, O(5) is bonded to three equivalent Th(1) and one Y(2) atom to form OYTh3 tetrahedra that share corners with three equivalent O(3)Th4 tetrahedra, corners with three equivalent O(4)Th4 tetrahedra, corners with three equivalent O(2)Y4 tetrahedra, corners with six equivalent O(5)YTh3 tetrahedra, edges with three equivalent O(3)Th4 tetrahedra, and edges with three equivalent O(1)Y3Th tetrahedra. In the sixth O site, O(6) is bonded to one Th(3) and three equivalent Th(2) atoms to form a mixture of edge and corner-sharing OTh4 tetrahedra. In the seventh O site, O(7) is bonded to one Th(2) and three equivalent Th(3) atoms to form a mixture of edge and corner-sharing OTh4 tetrahedra. In the eighth O site, O(8) is bonded to one Th(4) and three equivalent Th(5) atoms to form OTh4 tetrahedra that share  a cornercorner with one O(12)Y3Th tetrahedra, corners with three equivalent O(10)Th4 tetrahedra, corners with three equivalent O(9)Th4 tetrahedra, corners with three equivalent O(13)YTh3 tetrahedra, corners with six equivalent O(8)Th4 tetrahedra, edges with three equivalent O(10)Th4 tetrahedra, and edges with three equivalent O(11)Th4 tetrahedra. In the ninth O site, O(9) is bonded to one Th(5) and three equivalent Th(3) atoms to form a mixture of edge and corner-sharing OTh4 tetrahedra. In the tenth O site, O(10) is bonded to one Th(3) and three equivalent Th(5) atoms to form a mixture of edge and corner-sharing OTh4 tetrahedra. In the eleventh O site, O(11) is bonded to one Th(5) and three equivalent Th(4) atoms to form OTh4 tetrahedra that share  a cornercorner with one O(9)Th4 tetrahedra, corners with three equivalent O(10)Th4 tetrahedra, corners with three equivalent O(12)Y3Th tetrahedra, corners with three equivalent O(13)YTh3 tetrahedra, corners with six equivalent O(11)Th4 tetrahedra, edges with three equivalent O(8)Th4 tetrahedra, and edges with three equivalent O(13)YTh3 tetrahedra. In the twelfth O site, O(12) is bonded to one Th(4) and three equivalent Y(1) atoms to form distorted OY3Th tetrahedra that share  a cornercorner with one O(8)Th4 tetrahedra, corners with three equivalent O(11)Th4 tetrahedra, corners with three equivalent O(2)Y4 tetrahedra, corners with six equivalent O(12)Y3Th tetrahedra, and edges with three equivalent O(13)YTh3 tetrahedra. In the thirteenth O site, O(13) is bonded to three equivalent Th(4) and one Y(1) atom to form OYTh3 tetrahedra that share  a cornercorner with one O(2)Y4 tetrahedra, corners with three equivalent O(11)Th4 tetrahedra, corners with three equivalent O(8)Th4 tetrahedra, corners with six equivalent O(13)YTh3 tetrahedra, edges with three equivalent O(11)Th4 tetrahedra, and edges with three equivalent O(12)Y3Th tetrahedra. is represented by the CIF card [CIF]
data_Y2Th5O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.823
_cell_length_b   22.823
_cell_length_c   22.823
_cell_angle_alpha   9.864
_cell_angle_beta   9.864
_cell_angle_gamma   9.864
_symmetry_Int_Tables_number   1
_cell_volume   302.861
_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
  Y  Y0  1  0.999  0.999  0.999  1.0
  Y  Y1  1  0.716  0.716  0.716  1.0
  Th  Th2  1  0.427  0.427  0.427  1.0
  Th  Th3  1  0.142  0.142  0.142  1.0
  Th  Th4  1  0.857  0.857  0.857  1.0
  Th  Th5  1  0.286  0.286  0.286  1.0
  Th  Th6  1  0.571  0.571  0.571  1.0
  O  O7  1  0.392  0.392  0.392  1.0
  O  O8  1  0.030  0.030  0.030  1.0
  O  O9  1  0.107  0.107  0.107  1.0
  O  O10  1  0.464  0.464  0.464  1.0
  O  O11  1  0.749  0.749  0.749  1.0
  O  O12  1  0.822  0.822  0.822  1.0
  O  O13  1  0.179  0.179  0.179  1.0
  O  O14  1  0.251  0.251  0.251  1.0
  O  O15  1  0.536  0.536  0.536  1.0
  O  O16  1  0.893  0.893  0.893  1.0
  O  O17  1  0.608  0.608  0.608  1.0
  O  O18  1  0.326  0.326  0.326  1.0
  O  O19  1  0.965  0.965  0.965  1.0
[/CIF]
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The compound described by Th5Y2O13 crystallizes in the trigonal R3m space group. There are five inequivalent Th sites. In the first Th site, Th(1) is bonded in a body-centered cubic geometry to one O(1), one O(4), three equivalent O(3), and three equivalent O(5) atoms. In the second Th site, Th(2) is bonded in a body-centered cubic geometry to one O(3), one O(7), three equivalent O(4), and three equivalent O(6) atoms. In the third Th site, Th(3) is bonded in a body-centered cubic geometry to one O(10), one O(6), three equivalent O(7), and three equivalent O(9) atoms. In the fourth Th site, Th(4) is bonded in a body-centered cubic geometry to one O(12), one O(8), three equivalent O(11), and three equivalent O(13) atoms. In the fifth Th site, Th(5) is bonded in a body-centered cubic geometry to one O(11), one O(9), three equivalent O(10), and three equivalent O(8) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(13), one O(2), and three equivalent O(12) atoms to form corner-sharing YO5 trigonal bipyramids. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(5), three equivalent O(1), and three equivalent O(2) atoms. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Th(1) and three equivalent Y(2) atoms to form OY3Th tetrahedra that share  a cornercorner with one O(4)Th4 tetrahedra, corners with three equivalent O(3)Th4 tetrahedra, corners with three equivalent O(2)Y4 tetrahedra, corners with six equivalent O(1)Y3Th tetrahedra, edges with three equivalent O(2)Y4 tetrahedra, and edges with three equivalent O(5)YTh3 tetrahedra. In the second O site, O(2) is bonded to one Y(1) and three equivalent Y(2) atoms to form distorted OY4 tetrahedra that share  a cornercorner with one O(13)YTh3 tetrahedra, corners with three equivalent O(1)Y3Th tetrahedra, corners with three equivalent O(12)Y3Th tetrahedra, corners with three equivalent O(5)YTh3 tetrahedra, corners with six equivalent O(2)Y4 tetrahedra, and edges with three equivalent O(1)Y3Th tetrahedra. In the third O site, O(3) is bonded to one Th(2) and three equivalent Th(1) atoms to form OTh4 tetrahedra that share  a cornercorner with one O(7)Th4 tetrahedra, corners with three equivalent O(6)Th4 tetrahedra, corners with three equivalent O(1)Y3Th tetrahedra, corners with three equivalent O(5)YTh3 tetrahedra, corners with six equivalent O(3)Th4 tetrahedra, edges with three equivalent O(4)Th4 tetrahedra, and edges with three equivalent O(5)YTh3 tetrahedra. In the fourth O site, O(4) is bonded to one Th(1) and three equivalent Th(2) atoms to form OTh4 tetrahedra that share  a cornercorner with one O(1)Y3Th tetrahedra, corners with three equivalent O(6)Th4 tetrahedra, corners with three equivalent O(7)Th4 tetrahedra, corners with three equivalent O(5)YTh3 tetrahedra, corners with six equivalent O(4)Th4 tetrahedra, edges with three equivalent O(3)Th4 tetrahedra, and edges with three equivalent O(6)Th4 tetrahedra. In the fifth O site, O(5) is bonded to three equivalent Th(1) and one Y(2) atom to form OYTh3 tetrahedra that share corners with three equivalent O(3)Th4 tetrahedra, corners with three equivalent O(4)Th4 tetrahedra, corners with three equivalent O(2)Y4 tetrahedra, corners with six equivalent O(5)YTh3 tetrahedra, edges with three equivalent O(3)Th4 tetrahedra, and edges with three equivalent O(1)Y3Th tetrahedra. In the sixth O site, O(6) is bonded to one Th(3) and three equivalent Th(2) atoms to form a mixture of edge and corner-sharing OTh4 tetrahedra. In the seventh O site, O(7) is bonded to one Th(2) and three equivalent Th(3) atoms to form a mixture of edge and corner-sharing OTh4 tetrahedra. In the eighth O site, O(8) is bonded to one Th(4) and three equivalent Th(5) atoms to form OTh4 tetrahedra that share  a cornercorner with one O(12)Y3Th tetrahedra, corners with three equivalent O(10)Th4 tetrahedra, corners with three equivalent O(9)Th4 tetrahedra, corners with three equivalent O(13)YTh3 tetrahedra, corners with six equivalent O(8)Th4 tetrahedra, edges with three equivalent O(10)Th4 tetrahedra, and edges with three equivalent O(11)Th4 tetrahedra. In the ninth O site, O(9) is bonded to one Th(5) and three equivalent Th(3) atoms to form a mixture of edge and corner-sharing OTh4 tetrahedra. In the tenth O site, O(10) is bonded to one Th(3) and three equivalent Th(5) atoms to form a mixture of edge and corner-sharing OTh4 tetrahedra. In the eleventh O site, O(11) is bonded to one Th(5) and three equivalent Th(4) atoms to form OTh4 tetrahedra that share  a cornercorner with one O(9)Th4 tetrahedra, corners with three equivalent O(10)Th4 tetrahedra, corners with three equivalent O(12)Y3Th tetrahedra, corners with three equivalent O(13)YTh3 tetrahedra, corners with six equivalent O(11)Th4 tetrahedra, edges with three equivalent O(8)Th4 tetrahedra, and edges with three equivalent O(13)YTh3 tetrahedra. In the twelfth O site, O(12) is bonded to one Th(4) and three equivalent Y(1) atoms to form distorted OY3Th tetrahedra that share  a cornercorner with one O(8)Th4 tetrahedra, corners with three equivalent O(11)Th4 tetrahedra, corners with three equivalent O(2)Y4 tetrahedra, corners with six equivalent O(12)Y3Th tetrahedra, and edges with three equivalent O(13)YTh3 tetrahedra. In the thirteenth O site, O(13) is bonded to three equivalent Th(4) and one Y(1) atom to form OYTh3 tetrahedra that share  a cornercorner with one O(2)Y4 tetrahedra, corners with three equivalent O(11)Th4 tetrahedra, corners with three equivalent O(8)Th4 tetrahedra, corners with six equivalent O(13)YTh3 tetrahedra, edges with three equivalent O(11)Th4 tetrahedra, and edges with three equivalent O(12)Y3Th tetrahedra. is represented by the CIF card [CIF]
data_Y2Th5O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.823
_cell_length_b   22.823
_cell_length_c   22.823
_cell_angle_alpha   9.864
_cell_angle_beta   9.864
_cell_angle_gamma   9.864
_symmetry_Int_Tables_number   1
_cell_volume   302.861
_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
  Y  Y0  1  0.999  0.999  0.999  1.0
  Y  Y1  1  0.716  0.716  0.716  1.0
  Th  Th2  1  0.427  0.427  0.427  1.0
  Th  Th3  1  0.142  0.142  0.142  1.0
  Th  Th4  1  0.857  0.857  0.857  1.0
  Th  Th5  1  0.286  0.286  0.286  1.0
  Th  Th6  1  0.571  0.571  0.571  1.0
  O  O7  1  0.392  0.392  0.392  1.0
  O  O8  1  0.030  0.030  0.030  1.0
  O  O9  1  0.107  0.107  0.107  1.0
  O  O10  1  0.464  0.464  0.464  1.0
  O  O11  1  0.749  0.749  0.749  1.0
  O  O12  1  0.822  0.822  0.822  1.0
  O  O13  1  0.179  0.179  0.179  1.0
  O  O14  1  0.251  0.251  0.251  1.0
  O  O15  1  0.536  0.536  0.536  1.0
  O  O16  1  0.893  0.893  0.893  1.0
  O  O17  1  0.608  0.608  0.608  1.0
  O  O18  1  0.326  0.326  0.326  1.0
  O  O19  1  0.965  0.965  0.965  1.0
[/CIF]
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