The crystal structure described by Pr(MoO2)6 crystallizes in the tetragonal I4/m space group. Pr(1) is bonded in a distorted square co-planar geometry to four equivalent O(2) 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 edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. 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 edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a rectangular see-saw-like geometry to one Pr(1), one Mo(2), and two equivalent Mo(1) atoms. In the second O site, O(3) is bonded in a trigonal planar geometry to one Mo(2) and two equivalent Mo(1) atoms. In the third O site, O(4) is bonded in a distorted T-shaped geometry to one Mo(2) and two equivalent Mo(1) atoms. In the fourth O site, O(1) is bonded in a trigonal planar geometry to one Mo(2) and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr(MoO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.791
_cell_length_b   8.791
_cell_length_c   8.791
_cell_angle_alpha   108.523
_cell_angle_beta   108.523
_cell_angle_gamma   111.385
_symmetry_Int_Tables_number   1
_cell_volume   522.509
_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
  Pr  Pr0  1  0.745  0.745  0.000  1.0
  Pr  Pr1  1  0.255  0.255  0.000  1.0
  Mo  Mo2  1  0.498  0.020  0.184  1.0
  Mo  Mo3  1  0.314  0.498  0.478  1.0
  Mo  Mo4  1  0.020  0.835  0.522  1.0
  Mo  Mo5  1  0.835  0.314  0.816  1.0
  Mo  Mo6  1  0.502  0.980  0.816  1.0
  Mo  Mo7  1  0.686  0.502  0.522  1.0
  Mo  Mo8  1  0.980  0.165  0.478  1.0
  Mo  Mo9  1  0.165  0.686  0.184  1.0
  Mo  Mo10  1  0.822  0.355  0.178  1.0
  Mo  Mo11  1  0.645  0.822  0.467  1.0
  Mo  Mo12  1  0.355  0.178  0.533  1.0
  Mo  Mo13  1  0.178  0.645  0.822  1.0
  O  O14  1  0.820  0.107  0.608  1.0
  O  O15  1  0.213  0.820  0.714  1.0
  O  O16  1  0.107  0.499  0.286  1.0
  O  O17  1  0.499  0.213  0.392  1.0
  O  O18  1  0.180  0.893  0.392  1.0
  O  O19  1  0.787  0.180  0.286  1.0
  O  O20  1  0.893  0.501  0.714  1.0
  O  O21  1  0.501  0.787  0.608  1.0
  O  O22  1  0.807  0.852  0.318  1.0
  O  O23  1  0.489  0.807  0.955  1.0
  O  O24  1  0.852  0.534  0.045  1.0
  O  O25  1  0.534  0.489  0.682  1.0
  O  O26  1  0.193  0.148  0.682  1.0
  O  O27  1  0.511  0.193  0.045  1.0
  O  O28  1  0.148  0.466  0.955  1.0
  O  O29  1  0.466  0.511  0.318  1.0
  O  O30  1  0.166  0.455  0.621  1.0
  O  O31  1  0.545  0.166  0.710  1.0
  O  O32  1  0.455  0.834  0.290  1.0
  O  O33  1  0.834  0.545  0.379  1.0
  O  O34  1  0.803  0.154  0.957  1.0
  O  O35  1  0.846  0.803  0.650  1.0
  O  O36  1  0.154  0.197  0.350  1.0
  O  O37  1  0.197  0.846  0.043  1.0
[/CIF]
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The crystal structure described by Pr(MoO2)6 crystallizes in the tetragonal I4/m space group. Pr(1) is bonded in a distorted square co-planar geometry to four equivalent O(2) 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 edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. 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 edge and corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a rectangular see-saw-like geometry to one Pr(1), one Mo(2), and two equivalent Mo(1) atoms. In the second O site, O(3) is bonded in a trigonal planar geometry to one Mo(2) and two equivalent Mo(1) atoms. In the third O site, O(4) is bonded in a distorted T-shaped geometry to one Mo(2) and two equivalent Mo(1) atoms. In the fourth O site, O(1) is bonded in a trigonal planar geometry to one Mo(2) and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr(MoO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.791
_cell_length_b   8.791
_cell_length_c   8.791
_cell_angle_alpha   108.523
_cell_angle_beta   108.523
_cell_angle_gamma   111.385
_symmetry_Int_Tables_number   1
_cell_volume   522.509
_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
  Pr  Pr0  1  0.745  0.745  0.000  1.0
  Pr  Pr1  1  0.255  0.255  0.000  1.0
  Mo  Mo2  1  0.498  0.020  0.184  1.0
  Mo  Mo3  1  0.314  0.498  0.478  1.0
  Mo  Mo4  1  0.020  0.835  0.522  1.0
  Mo  Mo5  1  0.835  0.314  0.816  1.0
  Mo  Mo6  1  0.502  0.980  0.816  1.0
  Mo  Mo7  1  0.686  0.502  0.522  1.0
  Mo  Mo8  1  0.980  0.165  0.478  1.0
  Mo  Mo9  1  0.165  0.686  0.184  1.0
  Mo  Mo10  1  0.822  0.355  0.178  1.0
  Mo  Mo11  1  0.645  0.822  0.467  1.0
  Mo  Mo12  1  0.355  0.178  0.533  1.0
  Mo  Mo13  1  0.178  0.645  0.822  1.0
  O  O14  1  0.820  0.107  0.608  1.0
  O  O15  1  0.213  0.820  0.714  1.0
  O  O16  1  0.107  0.499  0.286  1.0
  O  O17  1  0.499  0.213  0.392  1.0
  O  O18  1  0.180  0.893  0.392  1.0
  O  O19  1  0.787  0.180  0.286  1.0
  O  O20  1  0.893  0.501  0.714  1.0
  O  O21  1  0.501  0.787  0.608  1.0
  O  O22  1  0.807  0.852  0.318  1.0
  O  O23  1  0.489  0.807  0.955  1.0
  O  O24  1  0.852  0.534  0.045  1.0
  O  O25  1  0.534  0.489  0.682  1.0
  O  O26  1  0.193  0.148  0.682  1.0
  O  O27  1  0.511  0.193  0.045  1.0
  O  O28  1  0.148  0.466  0.955  1.0
  O  O29  1  0.466  0.511  0.318  1.0
  O  O30  1  0.166  0.455  0.621  1.0
  O  O31  1  0.545  0.166  0.710  1.0
  O  O32  1  0.455  0.834  0.290  1.0
  O  O33  1  0.834  0.545  0.379  1.0
  O  O34  1  0.803  0.154  0.957  1.0
  O  O35  1  0.846  0.803  0.650  1.0
  O  O36  1  0.154  0.197  0.350  1.0
  O  O37  1  0.197  0.846  0.043  1.0
[/CIF]
.