The material described by Na8UTh(MoO4)8 crystallizes in the tetragonal I-4 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form distorted NaO6 pentagonal pyramids that share corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Na(2)O6 pentagonal pyramids. In the second Na site, Na(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form distorted NaO6 pentagonal pyramids that share corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Na(1)O6 pentagonal pyramids. U(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(6) atoms. Th(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(5) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form MoO4 tetrahedra that share corners with three equivalent Na(1)O6 pentagonal pyramids and corners with three equivalent Na(2)O6 pentagonal pyramids. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form MoO4 tetrahedra that share corners with three equivalent Na(1)O6 pentagonal pyramids and corners with three equivalent Na(2)O6 pentagonal pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one U(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(2), one Th(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(2), one Th(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Na(1), one U(1), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one Mo(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one Mo(2) atom. is represented by the CIF file [CIF]
data_Na8ThU(MoO4)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.157
_cell_length_b   10.157
_cell_length_c   10.157
_cell_angle_alpha   111.310
_cell_angle_beta   111.310
_cell_angle_gamma   105.853
_symmetry_Int_Tables_number   1
_cell_volume   804.175
_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
  Na  Na0  1  0.595  0.485  0.650  1.0
  Na  Na1  1  0.835  0.945  0.350  1.0
  Na  Na2  1  0.234  0.084  0.388  1.0
  Na  Na3  1  0.696  0.846  0.612  1.0
  Na  Na4  1  0.154  0.766  0.850  1.0
  Na  Na5  1  0.916  0.304  0.150  1.0
  Na  Na6  1  0.515  0.165  0.110  1.0
  Na  Na7  1  0.055  0.405  0.890  1.0
  Th  Th8  1  0.250  0.750  0.500  1.0
  U  U9  1  0.500  0.500  0.000  1.0
  Mo  Mo10  1  0.927  0.666  0.088  1.0
  Mo  Mo11  1  0.578  0.839  0.912  1.0
  Mo  Mo12  1  0.419  0.827  0.237  1.0
  Mo  Mo13  1  0.590  0.182  0.763  1.0
  Mo  Mo14  1  0.818  0.581  0.407  1.0
  Mo  Mo15  1  0.173  0.410  0.593  1.0
  Mo  Mo16  1  0.334  0.422  0.261  1.0
  Mo  Mo17  1  0.161  0.073  0.739  1.0
  O  O18  1  0.711  0.542  0.944  1.0
  O  O19  1  0.598  0.767  0.056  1.0
  O  O20  1  0.293  0.846  0.326  1.0
  O  O21  1  0.520  0.967  0.674  1.0
  O  O22  1  0.033  0.707  0.553  1.0
  O  O23  1  0.154  0.480  0.447  1.0
  O  O24  1  0.458  0.402  0.169  1.0
  O  O25  1  0.233  0.289  0.831  1.0
  O  O26  1  0.015  0.651  0.965  1.0
  O  O27  1  0.686  0.050  0.035  1.0
  O  O28  1  0.404  0.934  0.133  1.0
  O  O29  1  0.801  0.271  0.867  1.0
  O  O30  1  0.729  0.596  0.529  1.0
  O  O31  1  0.066  0.199  0.471  1.0
  O  O32  1  0.349  0.314  0.364  1.0
  O  O33  1  0.950  0.985  0.636  1.0
  O  O34  1  0.006  0.598  0.232  1.0
  O  O35  1  0.367  0.774  0.768  1.0
  O  O36  1  0.354  0.615  0.090  1.0
  O  O37  1  0.525  0.264  0.910  1.0
  O  O38  1  0.736  0.646  0.261  1.0
  O  O39  1  0.385  0.475  0.739  1.0
  O  O40  1  0.402  0.633  0.408  1.0
  O  O41  1  0.226  0.994  0.592  1.0
  O  O42  1  0.969  0.867  0.202  1.0
  O  O43  1  0.665  0.767  0.798  1.0
  O  O44  1  0.619  0.917  0.399  1.0
  O  O45  1  0.519  0.220  0.601  1.0
  O  O46  1  0.780  0.381  0.298  1.0
  O  O47  1  0.083  0.481  0.702  1.0
  O  O48  1  0.133  0.335  0.102  1.0
  O  O49  1  0.233  0.031  0.898  1.0
[/CIF]
.
The material described by Na8UTh(MoO4)8 crystallizes in the tetragonal I-4 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form distorted NaO6 pentagonal pyramids that share corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Na(2)O6 pentagonal pyramids. In the second Na site, Na(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form distorted NaO6 pentagonal pyramids that share corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Na(1)O6 pentagonal pyramids. U(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(6) atoms. Th(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(5) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form MoO4 tetrahedra that share corners with three equivalent Na(1)O6 pentagonal pyramids and corners with three equivalent Na(2)O6 pentagonal pyramids. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form MoO4 tetrahedra that share corners with three equivalent Na(1)O6 pentagonal pyramids and corners with three equivalent Na(2)O6 pentagonal pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one U(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(2), one Th(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(2), one Th(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Na(1), one U(1), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one Mo(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one Mo(2) atom. is represented by the CIF file [CIF]
data_Na8ThU(MoO4)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.157
_cell_length_b   10.157
_cell_length_c   10.157
_cell_angle_alpha   111.310
_cell_angle_beta   111.310
_cell_angle_gamma   105.853
_symmetry_Int_Tables_number   1
_cell_volume   804.175
_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
  Na  Na0  1  0.595  0.485  0.650  1.0
  Na  Na1  1  0.835  0.945  0.350  1.0
  Na  Na2  1  0.234  0.084  0.388  1.0
  Na  Na3  1  0.696  0.846  0.612  1.0
  Na  Na4  1  0.154  0.766  0.850  1.0
  Na  Na5  1  0.916  0.304  0.150  1.0
  Na  Na6  1  0.515  0.165  0.110  1.0
  Na  Na7  1  0.055  0.405  0.890  1.0
  Th  Th8  1  0.250  0.750  0.500  1.0
  U  U9  1  0.500  0.500  0.000  1.0
  Mo  Mo10  1  0.927  0.666  0.088  1.0
  Mo  Mo11  1  0.578  0.839  0.912  1.0
  Mo  Mo12  1  0.419  0.827  0.237  1.0
  Mo  Mo13  1  0.590  0.182  0.763  1.0
  Mo  Mo14  1  0.818  0.581  0.407  1.0
  Mo  Mo15  1  0.173  0.410  0.593  1.0
  Mo  Mo16  1  0.334  0.422  0.261  1.0
  Mo  Mo17  1  0.161  0.073  0.739  1.0
  O  O18  1  0.711  0.542  0.944  1.0
  O  O19  1  0.598  0.767  0.056  1.0
  O  O20  1  0.293  0.846  0.326  1.0
  O  O21  1  0.520  0.967  0.674  1.0
  O  O22  1  0.033  0.707  0.553  1.0
  O  O23  1  0.154  0.480  0.447  1.0
  O  O24  1  0.458  0.402  0.169  1.0
  O  O25  1  0.233  0.289  0.831  1.0
  O  O26  1  0.015  0.651  0.965  1.0
  O  O27  1  0.686  0.050  0.035  1.0
  O  O28  1  0.404  0.934  0.133  1.0
  O  O29  1  0.801  0.271  0.867  1.0
  O  O30  1  0.729  0.596  0.529  1.0
  O  O31  1  0.066  0.199  0.471  1.0
  O  O32  1  0.349  0.314  0.364  1.0
  O  O33  1  0.950  0.985  0.636  1.0
  O  O34  1  0.006  0.598  0.232  1.0
  O  O35  1  0.367  0.774  0.768  1.0
  O  O36  1  0.354  0.615  0.090  1.0
  O  O37  1  0.525  0.264  0.910  1.0
  O  O38  1  0.736  0.646  0.261  1.0
  O  O39  1  0.385  0.475  0.739  1.0
  O  O40  1  0.402  0.633  0.408  1.0
  O  O41  1  0.226  0.994  0.592  1.0
  O  O42  1  0.969  0.867  0.202  1.0
  O  O43  1  0.665  0.767  0.798  1.0
  O  O44  1  0.619  0.917  0.399  1.0
  O  O45  1  0.519  0.220  0.601  1.0
  O  O46  1  0.780  0.381  0.298  1.0
  O  O47  1  0.083  0.481  0.702  1.0
  O  O48  1  0.133  0.335  0.102  1.0
  O  O49  1  0.233  0.031  0.898  1.0
[/CIF]
.