The structure described by NdMo6O12 crystallizes in the tetragonal I4/m space group. Nd(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(4) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. In the second Mo site, Mo(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted T-shaped geometry to one Mo(1) and two equivalent Mo(2) atoms. In the second O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Nd(1), one Mo(1), and two equivalent Mo(2) atoms. In the third O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), one Mo(1), and two equivalent Mo(2) atoms. In the fourth O site, O(2) is bonded in a distorted T-shaped geometry to one Mo(1) and two equivalent Mo(2) atoms. is represented by the CIF file [CIF]
data_Nd(MoO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.361
_cell_length_b   8.361
_cell_length_c   8.361
_cell_angle_alpha   105.840
_cell_angle_beta   105.840
_cell_angle_gamma   117.007
_symmetry_Int_Tables_number   1
_cell_volume   444.010
_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  0.793  0.793  0.000  1.0
  Nd  Nd1  1  0.207  0.207  0.000  1.0
  Mo  Mo2  1  0.816  0.337  0.153  1.0
  Mo  Mo3  1  0.002  0.154  0.476  1.0
  Mo  Mo4  1  0.337  0.184  0.521  1.0
  Mo  Mo5  1  0.154  0.678  0.151  1.0
  Mo  Mo6  1  0.184  0.663  0.847  1.0
  Mo  Mo7  1  0.526  0.002  0.849  1.0
  Mo  Mo8  1  0.663  0.816  0.479  1.0
  Mo  Mo9  1  0.678  0.526  0.524  1.0
  Mo  Mo10  1  0.846  0.322  0.849  1.0
  Mo  Mo11  1  0.998  0.846  0.524  1.0
  Mo  Mo12  1  0.474  0.998  0.151  1.0
  Mo  Mo13  1  0.322  0.474  0.476  1.0
  O  O14  1  0.504  0.208  0.044  1.0
  O  O15  1  0.164  0.460  0.956  1.0
  O  O16  1  0.835  0.124  0.626  1.0
  O  O17  1  0.124  0.497  0.288  1.0
  O  O18  1  0.836  0.539  0.375  1.0
  O  O19  1  0.460  0.504  0.296  1.0
  O  O20  1  0.461  0.836  0.297  1.0
  O  O21  1  0.496  0.792  0.956  1.0
  O  O22  1  0.497  0.209  0.374  1.0
  O  O23  1  0.876  0.503  0.712  1.0
  O  O24  1  0.123  0.157  0.281  1.0
  O  O25  1  0.157  0.877  0.034  1.0
  O  O26  1  0.792  0.836  0.296  1.0
  O  O27  1  0.836  0.540  0.044  1.0
  O  O28  1  0.164  0.461  0.625  1.0
  O  O29  1  0.540  0.496  0.704  1.0
  O  O30  1  0.208  0.164  0.704  1.0
  O  O31  1  0.877  0.843  0.719  1.0
  O  O32  1  0.503  0.791  0.626  1.0
  O  O33  1  0.209  0.835  0.712  1.0
  O  O34  1  0.539  0.164  0.703  1.0
  O  O35  1  0.791  0.165  0.288  1.0
  O  O36  1  0.843  0.123  0.966  1.0
  O  O37  1  0.165  0.876  0.374  1.0
[/CIF]
.
The structure described by NdMo6O12 crystallizes in the tetragonal I4/m space group. Nd(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(4) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. In the second Mo site, Mo(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted T-shaped geometry to one Mo(1) and two equivalent Mo(2) atoms. In the second O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Nd(1), one Mo(1), and two equivalent Mo(2) atoms. In the third O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), one Mo(1), and two equivalent Mo(2) atoms. In the fourth O site, O(2) is bonded in a distorted T-shaped geometry to one Mo(1) and two equivalent Mo(2) atoms. is represented by the CIF file [CIF]
data_Nd(MoO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.361
_cell_length_b   8.361
_cell_length_c   8.361
_cell_angle_alpha   105.840
_cell_angle_beta   105.840
_cell_angle_gamma   117.007
_symmetry_Int_Tables_number   1
_cell_volume   444.010
_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  0.793  0.793  0.000  1.0
  Nd  Nd1  1  0.207  0.207  0.000  1.0
  Mo  Mo2  1  0.816  0.337  0.153  1.0
  Mo  Mo3  1  0.002  0.154  0.476  1.0
  Mo  Mo4  1  0.337  0.184  0.521  1.0
  Mo  Mo5  1  0.154  0.678  0.151  1.0
  Mo  Mo6  1  0.184  0.663  0.847  1.0
  Mo  Mo7  1  0.526  0.002  0.849  1.0
  Mo  Mo8  1  0.663  0.816  0.479  1.0
  Mo  Mo9  1  0.678  0.526  0.524  1.0
  Mo  Mo10  1  0.846  0.322  0.849  1.0
  Mo  Mo11  1  0.998  0.846  0.524  1.0
  Mo  Mo12  1  0.474  0.998  0.151  1.0
  Mo  Mo13  1  0.322  0.474  0.476  1.0
  O  O14  1  0.504  0.208  0.044  1.0
  O  O15  1  0.164  0.460  0.956  1.0
  O  O16  1  0.835  0.124  0.626  1.0
  O  O17  1  0.124  0.497  0.288  1.0
  O  O18  1  0.836  0.539  0.375  1.0
  O  O19  1  0.460  0.504  0.296  1.0
  O  O20  1  0.461  0.836  0.297  1.0
  O  O21  1  0.496  0.792  0.956  1.0
  O  O22  1  0.497  0.209  0.374  1.0
  O  O23  1  0.876  0.503  0.712  1.0
  O  O24  1  0.123  0.157  0.281  1.0
  O  O25  1  0.157  0.877  0.034  1.0
  O  O26  1  0.792  0.836  0.296  1.0
  O  O27  1  0.836  0.540  0.044  1.0
  O  O28  1  0.164  0.461  0.625  1.0
  O  O29  1  0.540  0.496  0.704  1.0
  O  O30  1  0.208  0.164  0.704  1.0
  O  O31  1  0.877  0.843  0.719  1.0
  O  O32  1  0.503  0.791  0.626  1.0
  O  O33  1  0.209  0.835  0.712  1.0
  O  O34  1  0.539  0.164  0.703  1.0
  O  O35  1  0.791  0.165  0.288  1.0
  O  O36  1  0.843  0.123  0.966  1.0
  O  O37  1  0.165  0.876  0.374  1.0
[/CIF]
.