The structure described by MgPr(WO3)2 crystallizes in the monoclinic Pc space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. In the second W site, W(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Pr(1), one W(1), and one W(2) atom to form a mixture of distorted corner and edge-sharing OPrMgW2 trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1), one Pr(1), one W(1), and one W(2) atom to form a mixture of distorted corner and edge-sharing OPrMgW2 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Pr(1), one W(1), and one W(2) atom to form a mixture of distorted corner and edge-sharing OPrMgW2 trigonal pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Pr(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Pr(1), one W(1), and one W(2) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Pr(1), one W(1), and one W(2) atom to form distorted corner-sharing OPrMgW2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrMg(WO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.720
_cell_length_b   5.504
_cell_length_c   9.784
_cell_angle_alpha   55.991
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   255.328
_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  0.303  0.758  0.249  1.0
  Pr  Pr1  1  0.697  0.758  0.749  1.0
  Mg  Mg2  1  0.798  0.235  0.249  1.0
  Mg  Mg3  1  0.202  0.235  0.749  1.0
  W  W4  1  0.755  0.999  1.000  1.0
  W  W5  1  0.752  0.500  0.499  1.0
  W  W6  1  0.245  0.999  0.500  1.0
  W  W7  1  0.248  0.500  0.999  1.0
  O  O8  1  0.835  0.358  0.752  1.0
  O  O9  1  0.039  0.126  0.070  1.0
  O  O10  1  0.047  0.781  0.431  1.0
  O  O11  1  0.557  0.897  0.432  1.0
  O  O12  1  0.570  0.240  0.071  1.0
  O  O13  1  0.301  0.607  0.746  1.0
  O  O14  1  0.165  0.358  0.252  1.0
  O  O15  1  0.953  0.781  0.931  1.0
  O  O16  1  0.961  0.126  0.570  1.0
  O  O17  1  0.443  0.897  0.932  1.0
  O  O18  1  0.430  0.240  0.571  1.0
  O  O19  1  0.699  0.607  0.246  1.0
[/CIF]
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The structure described by MgPr(WO3)2 crystallizes in the monoclinic Pc space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. In the second W site, W(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Pr(1), one W(1), and one W(2) atom to form a mixture of distorted corner and edge-sharing OPrMgW2 trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1), one Pr(1), one W(1), and one W(2) atom to form a mixture of distorted corner and edge-sharing OPrMgW2 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Pr(1), one W(1), and one W(2) atom to form a mixture of distorted corner and edge-sharing OPrMgW2 trigonal pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Pr(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Pr(1), one W(1), and one W(2) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Pr(1), one W(1), and one W(2) atom to form distorted corner-sharing OPrMgW2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrMg(WO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.720
_cell_length_b   5.504
_cell_length_c   9.784
_cell_angle_alpha   55.991
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   255.328
_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  0.303  0.758  0.249  1.0
  Pr  Pr1  1  0.697  0.758  0.749  1.0
  Mg  Mg2  1  0.798  0.235  0.249  1.0
  Mg  Mg3  1  0.202  0.235  0.749  1.0
  W  W4  1  0.755  0.999  1.000  1.0
  W  W5  1  0.752  0.500  0.499  1.0
  W  W6  1  0.245  0.999  0.500  1.0
  W  W7  1  0.248  0.500  0.999  1.0
  O  O8  1  0.835  0.358  0.752  1.0
  O  O9  1  0.039  0.126  0.070  1.0
  O  O10  1  0.047  0.781  0.431  1.0
  O  O11  1  0.557  0.897  0.432  1.0
  O  O12  1  0.570  0.240  0.071  1.0
  O  O13  1  0.301  0.607  0.746  1.0
  O  O14  1  0.165  0.358  0.252  1.0
  O  O15  1  0.953  0.781  0.931  1.0
  O  O16  1  0.961  0.126  0.570  1.0
  O  O17  1  0.443  0.897  0.932  1.0
  O  O18  1  0.430  0.240  0.571  1.0
  O  O19  1  0.699  0.607  0.246  1.0
[/CIF]
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