The crystal structure described by Nd2Tl(MoO4)4 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(2), one O(5), one O(6), and one O(8) atom. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(7) atom. Tl(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(1) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(1) atom. In the third O site, O(7) is bonded in a 2-coordinate geometry to one Mo(2) and one Tl(1) atom. In the fourth O site, O(8) is bonded in a single-bond geometry to one Mo(1) atom. In the fifth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one Tl(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Mo(1) atom. In the seventh O site, O(3) is bonded in a bent 120 degrees geometry to one Nd(1) and one Mo(2) atom. In the eighth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(2) atom. is represented by the CIF card [CIF]
data_Nd2Tl(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.921
_cell_length_b   6.921
_cell_length_c   19.845
_cell_angle_alpha   88.948
_cell_angle_beta   88.948
_cell_angle_gamma   133.790
_symmetry_Int_Tables_number   1
_cell_volume   685.539
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.854  0.149  0.467  1.0
  Nd  Nd1  1  0.851  0.146  0.033  1.0
  Nd  Nd2  1  0.149  0.854  0.967  1.0
  Nd  Nd3  1  0.146  0.851  0.533  1.0
  Tl  Tl4  1  0.975  0.025  0.250  1.0
  Tl  Tl5  1  0.025  0.975  0.750  1.0
  Mo  Mo6  1  0.572  0.453  0.408  1.0
  Mo  Mo7  1  0.273  0.755  0.348  1.0
  Mo  Mo8  1  0.245  0.727  0.152  1.0
  Mo  Mo9  1  0.547  0.428  0.092  1.0
  Mo  Mo10  1  0.453  0.572  0.908  1.0
  Mo  Mo11  1  0.755  0.273  0.848  1.0
  Mo  Mo12  1  0.727  0.245  0.652  1.0
  Mo  Mo13  1  0.428  0.547  0.592  1.0
  O  O14  1  0.533  0.914  0.285  1.0
  O  O15  1  0.680  0.774  0.397  1.0
  O  O16  1  0.591  0.896  0.136  1.0
  O  O17  1  0.409  0.928  0.430  1.0
  O  O18  1  0.773  0.738  0.037  1.0
  O  O19  1  0.826  0.487  0.454  1.0
  O  O20  1  0.914  0.533  0.785  1.0
  O  O21  1  0.774  0.680  0.897  1.0
  O  O22  1  0.896  0.591  0.636  1.0
  O  O23  1  0.928  0.409  0.930  1.0
  O  O24  1  0.738  0.773  0.537  1.0
  O  O25  1  0.241  0.971  0.176  1.0
  O  O26  1  0.487  0.826  0.954  1.0
  O  O27  1  0.694  0.515  0.170  1.0
  O  O28  1  0.971  0.241  0.676  1.0
  O  O29  1  0.515  0.694  0.670  1.0
  O  O30  1  0.485  0.306  0.330  1.0
  O  O31  1  0.029  0.759  0.324  1.0
  O  O32  1  0.306  0.485  0.830  1.0
  O  O33  1  0.513  0.174  0.046  1.0
  O  O34  1  0.759  0.029  0.824  1.0
  O  O35  1  0.262  0.227  0.463  1.0
  O  O36  1  0.072  0.591  0.070  1.0
  O  O37  1  0.104  0.409  0.364  1.0
  O  O38  1  0.226  0.320  0.103  1.0
  O  O39  1  0.086  0.467  0.215  1.0
  O  O40  1  0.174  0.513  0.546  1.0
  O  O41  1  0.227  0.262  0.963  1.0
  O  O42  1  0.591  0.072  0.570  1.0
  O  O43  1  0.409  0.104  0.864  1.0
  O  O44  1  0.320  0.226  0.603  1.0
  O  O45  1  0.467  0.086  0.715  1.0
[/CIF]
.
The crystal structure described by Nd2Tl(MoO4)4 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(2), one O(5), one O(6), and one O(8) atom. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(7) atom. Tl(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(1) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(1) atom. In the third O site, O(7) is bonded in a 2-coordinate geometry to one Mo(2) and one Tl(1) atom. In the fourth O site, O(8) is bonded in a single-bond geometry to one Mo(1) atom. In the fifth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one Tl(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Mo(1) atom. In the seventh O site, O(3) is bonded in a bent 120 degrees geometry to one Nd(1) and one Mo(2) atom. In the eighth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(2) atom. is represented by the CIF card [CIF]
data_Nd2Tl(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.921
_cell_length_b   6.921
_cell_length_c   19.845
_cell_angle_alpha   88.948
_cell_angle_beta   88.948
_cell_angle_gamma   133.790
_symmetry_Int_Tables_number   1
_cell_volume   685.539
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.854  0.149  0.467  1.0
  Nd  Nd1  1  0.851  0.146  0.033  1.0
  Nd  Nd2  1  0.149  0.854  0.967  1.0
  Nd  Nd3  1  0.146  0.851  0.533  1.0
  Tl  Tl4  1  0.975  0.025  0.250  1.0
  Tl  Tl5  1  0.025  0.975  0.750  1.0
  Mo  Mo6  1  0.572  0.453  0.408  1.0
  Mo  Mo7  1  0.273  0.755  0.348  1.0
  Mo  Mo8  1  0.245  0.727  0.152  1.0
  Mo  Mo9  1  0.547  0.428  0.092  1.0
  Mo  Mo10  1  0.453  0.572  0.908  1.0
  Mo  Mo11  1  0.755  0.273  0.848  1.0
  Mo  Mo12  1  0.727  0.245  0.652  1.0
  Mo  Mo13  1  0.428  0.547  0.592  1.0
  O  O14  1  0.533  0.914  0.285  1.0
  O  O15  1  0.680  0.774  0.397  1.0
  O  O16  1  0.591  0.896  0.136  1.0
  O  O17  1  0.409  0.928  0.430  1.0
  O  O18  1  0.773  0.738  0.037  1.0
  O  O19  1  0.826  0.487  0.454  1.0
  O  O20  1  0.914  0.533  0.785  1.0
  O  O21  1  0.774  0.680  0.897  1.0
  O  O22  1  0.896  0.591  0.636  1.0
  O  O23  1  0.928  0.409  0.930  1.0
  O  O24  1  0.738  0.773  0.537  1.0
  O  O25  1  0.241  0.971  0.176  1.0
  O  O26  1  0.487  0.826  0.954  1.0
  O  O27  1  0.694  0.515  0.170  1.0
  O  O28  1  0.971  0.241  0.676  1.0
  O  O29  1  0.515  0.694  0.670  1.0
  O  O30  1  0.485  0.306  0.330  1.0
  O  O31  1  0.029  0.759  0.324  1.0
  O  O32  1  0.306  0.485  0.830  1.0
  O  O33  1  0.513  0.174  0.046  1.0
  O  O34  1  0.759  0.029  0.824  1.0
  O  O35  1  0.262  0.227  0.463  1.0
  O  O36  1  0.072  0.591  0.070  1.0
  O  O37  1  0.104  0.409  0.364  1.0
  O  O38  1  0.226  0.320  0.103  1.0
  O  O39  1  0.086  0.467  0.215  1.0
  O  O40  1  0.174  0.513  0.546  1.0
  O  O41  1  0.227  0.262  0.963  1.0
  O  O42  1  0.591  0.072  0.570  1.0
  O  O43  1  0.409  0.104  0.864  1.0
  O  O44  1  0.320  0.226  0.603  1.0
  O  O45  1  0.467  0.086  0.715  1.0
[/CIF]
.