The crystal structure described by TlNd(MoO4)2 crystallizes in the tetragonal P4/nnc space group. The structure consists of two 7440-28-0 atoms inside a Nd(MoO4)2 framework. In the Nd(MoO4)2 framework, Nd(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Mo(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_NdTl(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.411
_cell_length_b   6.411
_cell_length_c   9.707
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   398.994
_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  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.500  0.500  0.500  1.0
  Tl  Tl2  1  0.000  0.000  0.500  1.0
  Tl  Tl3  1  0.500  0.500  0.000  1.0
  Mo  Mo4  1  0.000  0.500  0.750  1.0
  Mo  Mo5  1  0.000  0.500  0.250  1.0
  Mo  Mo6  1  0.500  0.000  0.750  1.0
  Mo  Mo7  1  0.500  0.000  0.250  1.0
  O  O8  1  0.389  0.196  0.361  1.0
  O  O9  1  0.389  0.804  0.639  1.0
  O  O10  1  0.111  0.696  0.861  1.0
  O  O11  1  0.611  0.196  0.639  1.0
  O  O12  1  0.111  0.304  0.139  1.0
  O  O13  1  0.804  0.389  0.361  1.0
  O  O14  1  0.304  0.111  0.861  1.0
  O  O15  1  0.196  0.611  0.361  1.0
  O  O16  1  0.889  0.696  0.139  1.0
  O  O17  1  0.696  0.889  0.861  1.0
  O  O18  1  0.611  0.804  0.361  1.0
  O  O19  1  0.804  0.611  0.639  1.0
  O  O20  1  0.196  0.389  0.639  1.0
  O  O21  1  0.889  0.304  0.861  1.0
  O  O22  1  0.304  0.889  0.139  1.0
  O  O23  1  0.696  0.111  0.139  1.0
[/CIF]
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The crystal structure described by TlNd(MoO4)2 crystallizes in the tetragonal P4/nnc space group. The structure consists of two 7440-28-0 atoms inside a Nd(MoO4)2 framework. In the Nd(MoO4)2 framework, Nd(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Mo(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_NdTl(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.411
_cell_length_b   6.411
_cell_length_c   9.707
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   398.994
_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  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.500  0.500  0.500  1.0
  Tl  Tl2  1  0.000  0.000  0.500  1.0
  Tl  Tl3  1  0.500  0.500  0.000  1.0
  Mo  Mo4  1  0.000  0.500  0.750  1.0
  Mo  Mo5  1  0.000  0.500  0.250  1.0
  Mo  Mo6  1  0.500  0.000  0.750  1.0
  Mo  Mo7  1  0.500  0.000  0.250  1.0
  O  O8  1  0.389  0.196  0.361  1.0
  O  O9  1  0.389  0.804  0.639  1.0
  O  O10  1  0.111  0.696  0.861  1.0
  O  O11  1  0.611  0.196  0.639  1.0
  O  O12  1  0.111  0.304  0.139  1.0
  O  O13  1  0.804  0.389  0.361  1.0
  O  O14  1  0.304  0.111  0.861  1.0
  O  O15  1  0.196  0.611  0.361  1.0
  O  O16  1  0.889  0.696  0.139  1.0
  O  O17  1  0.696  0.889  0.861  1.0
  O  O18  1  0.611  0.804  0.361  1.0
  O  O19  1  0.804  0.611  0.639  1.0
  O  O20  1  0.196  0.389  0.639  1.0
  O  O21  1  0.889  0.304  0.861  1.0
  O  O22  1  0.304  0.889  0.139  1.0
  O  O23  1  0.696  0.111  0.139  1.0
[/CIF]
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