The structure described by Nd2MoO6 crystallizes in the tetragonal I4_1/acd space group. Nd(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Mo(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Nd(1) and one Mo(1) atom. In the second O site, O(1) is bonded to four equivalent Nd(1) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. is represented by the CIF card [CIF]
data_Nd2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.511
_cell_length_b   16.511
_cell_length_c   16.511
_cell_angle_alpha   159.987
_cell_angle_beta   159.987
_cell_angle_gamma   28.451
_symmetry_Int_Tables_number   1
_cell_volume   526.967
_cell_formula_units_Z   4
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  0.837  0.837  0.000  1.0
  Nd  Nd1  1  0.587  0.087  0.500  1.0
  Nd  Nd2  1  0.413  0.913  0.500  1.0
  Nd  Nd3  1  0.663  0.663  0.000  1.0
  Nd  Nd4  1  0.913  0.413  0.500  1.0
  Nd  Nd5  1  0.163  0.163  0.000  1.0
  Nd  Nd6  1  0.337  0.337  0.000  1.0
  Nd  Nd7  1  0.087  0.587  0.500  1.0
  Mo  Mo8  1  0.000  0.000  0.000  1.0
  Mo  Mo9  1  0.750  0.250  0.500  1.0
  Mo  Mo10  1  0.250  0.750  0.500  1.0
  Mo  Mo11  1  0.500  0.500  0.000  1.0
  O  O12  1  0.869  0.375  0.994  1.0
  O  O13  1  0.125  0.631  0.006  1.0
  O  O14  1  0.625  0.119  0.994  1.0
  O  O15  1  0.381  0.875  0.006  1.0
  O  O16  1  0.881  0.875  0.506  1.0
  O  O17  1  0.625  0.619  0.494  1.0
  O  O18  1  0.125  0.131  0.506  1.0
  O  O19  1  0.369  0.375  0.494  1.0
  O  O20  1  0.045  0.540  0.157  1.0
  O  O21  1  0.612  0.117  0.157  1.0
  O  O22  1  0.960  0.455  0.843  1.0
  O  O23  1  0.205  0.862  0.995  1.0
  O  O24  1  0.367  0.362  0.657  1.0
  O  O25  1  0.112  0.955  0.495  1.0
  O  O26  1  0.460  0.617  0.505  1.0
  O  O27  1  0.883  0.040  0.495  1.0
  O  O28  1  0.545  0.388  0.505  1.0
  O  O29  1  0.790  0.795  0.657  1.0
  O  O30  1  0.138  0.133  0.343  1.0
  O  O31  1  0.705  0.710  0.343  1.0
  O  O32  1  0.383  0.888  0.843  1.0
  O  O33  1  0.638  0.295  0.005  1.0
  O  O34  1  0.290  0.633  0.995  1.0
  O  O35  1  0.867  0.210  0.005  1.0
[/CIF]
.
The structure described by Nd2MoO6 crystallizes in the tetragonal I4_1/acd space group. Nd(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Mo(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Nd(1) and one Mo(1) atom. In the second O site, O(1) is bonded to four equivalent Nd(1) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. is represented by the CIF card [CIF]
data_Nd2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.511
_cell_length_b   16.511
_cell_length_c   16.511
_cell_angle_alpha   159.987
_cell_angle_beta   159.987
_cell_angle_gamma   28.451
_symmetry_Int_Tables_number   1
_cell_volume   526.967
_cell_formula_units_Z   4
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  0.837  0.837  0.000  1.0
  Nd  Nd1  1  0.587  0.087  0.500  1.0
  Nd  Nd2  1  0.413  0.913  0.500  1.0
  Nd  Nd3  1  0.663  0.663  0.000  1.0
  Nd  Nd4  1  0.913  0.413  0.500  1.0
  Nd  Nd5  1  0.163  0.163  0.000  1.0
  Nd  Nd6  1  0.337  0.337  0.000  1.0
  Nd  Nd7  1  0.087  0.587  0.500  1.0
  Mo  Mo8  1  0.000  0.000  0.000  1.0
  Mo  Mo9  1  0.750  0.250  0.500  1.0
  Mo  Mo10  1  0.250  0.750  0.500  1.0
  Mo  Mo11  1  0.500  0.500  0.000  1.0
  O  O12  1  0.869  0.375  0.994  1.0
  O  O13  1  0.125  0.631  0.006  1.0
  O  O14  1  0.625  0.119  0.994  1.0
  O  O15  1  0.381  0.875  0.006  1.0
  O  O16  1  0.881  0.875  0.506  1.0
  O  O17  1  0.625  0.619  0.494  1.0
  O  O18  1  0.125  0.131  0.506  1.0
  O  O19  1  0.369  0.375  0.494  1.0
  O  O20  1  0.045  0.540  0.157  1.0
  O  O21  1  0.612  0.117  0.157  1.0
  O  O22  1  0.960  0.455  0.843  1.0
  O  O23  1  0.205  0.862  0.995  1.0
  O  O24  1  0.367  0.362  0.657  1.0
  O  O25  1  0.112  0.955  0.495  1.0
  O  O26  1  0.460  0.617  0.505  1.0
  O  O27  1  0.883  0.040  0.495  1.0
  O  O28  1  0.545  0.388  0.505  1.0
  O  O29  1  0.790  0.795  0.657  1.0
  O  O30  1  0.138  0.133  0.343  1.0
  O  O31  1  0.705  0.710  0.343  1.0
  O  O32  1  0.383  0.888  0.843  1.0
  O  O33  1  0.638  0.295  0.005  1.0
  O  O34  1  0.290  0.633  0.995  1.0
  O  O35  1  0.867  0.210  0.005  1.0
[/CIF]
.