The material described by Pr2MoO6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. In the second Pr site, Pr(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(6) atoms. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. Mo(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Pr(3) and one Mo(1) atom. In the second O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pr(3) and one Mo(1) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and one Mo(1) atom. In the fourth O site, O(6) is bonded to two equivalent Pr(2) and two equivalent Pr(3) atoms to form OPr4 tetrahedra that share corners with two equivalent O(6)Pr4 tetrahedra, corners with four equivalent O(1)Pr3Mo tetrahedra,  an edgeedge with one O(1)Pr3Mo tetrahedra, and edges with three equivalent O(6)Pr4 tetrahedra. In the fifth O site, O(1) is bonded to one Pr(1), one Pr(2), one Pr(3), and one Mo(1) atom to form OPr3Mo tetrahedra that share corners with two equivalent O(1)Pr3Mo tetrahedra, corners with four equivalent O(6)Pr4 tetrahedra, and  an edgeedge with one O(6)Pr4 tetrahedra. In the sixth O site, O(2) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.213
_cell_length_b   10.213
_cell_length_c   5.579
_cell_angle_alpha   75.156
_cell_angle_beta   75.156
_cell_angle_gamma   68.647
_symmetry_Int_Tables_number   1
_cell_volume   515.308
_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
  Pr  Pr0  1  0.632  0.368  0.750  1.0
  Pr  Pr1  1  0.368  0.632  0.250  1.0
  Pr  Pr2  1  0.111  0.889  0.750  1.0
  Pr  Pr3  1  0.889  0.111  0.250  1.0
  Pr  Pr4  1  0.711  0.944  0.883  1.0
  Pr  Pr5  1  0.289  0.056  0.117  1.0
  Pr  Pr6  1  0.056  0.289  0.617  1.0
  Pr  Pr7  1  0.944  0.711  0.383  1.0
  Mo  Mo8  1  0.510  0.797  0.561  1.0
  Mo  Mo9  1  0.490  0.203  0.439  1.0
  Mo  Mo10  1  0.203  0.490  0.939  1.0
  Mo  Mo11  1  0.797  0.510  0.061  1.0
  O  O12  1  0.685  0.164  0.585  1.0
  O  O13  1  0.315  0.836  0.415  1.0
  O  O14  1  0.836  0.315  0.915  1.0
  O  O15  1  0.164  0.685  0.085  1.0
  O  O16  1  0.387  0.827  0.856  1.0
  O  O17  1  0.613  0.173  0.144  1.0
  O  O18  1  0.173  0.613  0.644  1.0
  O  O19  1  0.827  0.387  0.356  1.0
  O  O20  1  0.674  0.786  0.638  1.0
  O  O21  1  0.326  0.214  0.362  1.0
  O  O22  1  0.214  0.326  0.862  1.0
  O  O23  1  0.786  0.674  0.138  1.0
  O  O24  1  0.474  0.072  0.727  1.0
  O  O25  1  0.526  0.928  0.273  1.0
  O  O26  1  0.928  0.526  0.773  1.0
  O  O27  1  0.072  0.474  0.227  1.0
  O  O28  1  0.545  0.618  0.520  1.0
  O  O29  1  0.455  0.382  0.480  1.0
  O  O30  1  0.382  0.455  0.980  1.0
  O  O31  1  0.618  0.545  0.020  1.0
  O  O32  1  0.891  0.923  0.079  1.0
  O  O33  1  0.109  0.077  0.921  1.0
  O  O34  1  0.077  0.109  0.421  1.0
  O  O35  1  0.923  0.891  0.579  1.0
[/CIF]
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The material described by Pr2MoO6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. In the second Pr site, Pr(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(6) atoms. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. Mo(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Pr(3) and one Mo(1) atom. In the second O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pr(3) and one Mo(1) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and one Mo(1) atom. In the fourth O site, O(6) is bonded to two equivalent Pr(2) and two equivalent Pr(3) atoms to form OPr4 tetrahedra that share corners with two equivalent O(6)Pr4 tetrahedra, corners with four equivalent O(1)Pr3Mo tetrahedra,  an edgeedge with one O(1)Pr3Mo tetrahedra, and edges with three equivalent O(6)Pr4 tetrahedra. In the fifth O site, O(1) is bonded to one Pr(1), one Pr(2), one Pr(3), and one Mo(1) atom to form OPr3Mo tetrahedra that share corners with two equivalent O(1)Pr3Mo tetrahedra, corners with four equivalent O(6)Pr4 tetrahedra, and  an edgeedge with one O(6)Pr4 tetrahedra. In the sixth O site, O(2) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.213
_cell_length_b   10.213
_cell_length_c   5.579
_cell_angle_alpha   75.156
_cell_angle_beta   75.156
_cell_angle_gamma   68.647
_symmetry_Int_Tables_number   1
_cell_volume   515.308
_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
  Pr  Pr0  1  0.632  0.368  0.750  1.0
  Pr  Pr1  1  0.368  0.632  0.250  1.0
  Pr  Pr2  1  0.111  0.889  0.750  1.0
  Pr  Pr3  1  0.889  0.111  0.250  1.0
  Pr  Pr4  1  0.711  0.944  0.883  1.0
  Pr  Pr5  1  0.289  0.056  0.117  1.0
  Pr  Pr6  1  0.056  0.289  0.617  1.0
  Pr  Pr7  1  0.944  0.711  0.383  1.0
  Mo  Mo8  1  0.510  0.797  0.561  1.0
  Mo  Mo9  1  0.490  0.203  0.439  1.0
  Mo  Mo10  1  0.203  0.490  0.939  1.0
  Mo  Mo11  1  0.797  0.510  0.061  1.0
  O  O12  1  0.685  0.164  0.585  1.0
  O  O13  1  0.315  0.836  0.415  1.0
  O  O14  1  0.836  0.315  0.915  1.0
  O  O15  1  0.164  0.685  0.085  1.0
  O  O16  1  0.387  0.827  0.856  1.0
  O  O17  1  0.613  0.173  0.144  1.0
  O  O18  1  0.173  0.613  0.644  1.0
  O  O19  1  0.827  0.387  0.356  1.0
  O  O20  1  0.674  0.786  0.638  1.0
  O  O21  1  0.326  0.214  0.362  1.0
  O  O22  1  0.214  0.326  0.862  1.0
  O  O23  1  0.786  0.674  0.138  1.0
  O  O24  1  0.474  0.072  0.727  1.0
  O  O25  1  0.526  0.928  0.273  1.0
  O  O26  1  0.928  0.526  0.773  1.0
  O  O27  1  0.072  0.474  0.227  1.0
  O  O28  1  0.545  0.618  0.520  1.0
  O  O29  1  0.455  0.382  0.480  1.0
  O  O30  1  0.382  0.455  0.980  1.0
  O  O31  1  0.618  0.545  0.020  1.0
  O  O32  1  0.891  0.923  0.079  1.0
  O  O33  1  0.109  0.077  0.921  1.0
  O  O34  1  0.077  0.109  0.421  1.0
  O  O35  1  0.923  0.891  0.579  1.0
[/CIF]
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