The material structure described by MgPr2(MoO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(5), and one O(8) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 24-39°. In the second Mo site, Mo(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 22-39°. In the third Mo site, Mo(3) is bonded to one O(11), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 22-39°. In the fourth Mo site, Mo(4) is bonded to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 24-37°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pr(2), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(1), one Mo(1), and one Mo(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Pr(1), one Mo(2), and one Mo(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Pr(1), one Pr(2), one Mo(2), and one Mo(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), one Pr(1), one Pr(2), one Mo(1), and one Mo(4) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Pr(2), one Mo(3), and one Mo(4) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Mg(1), one Pr(1), one Mo(3), and one Mo(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(2), one Mo(1), and one Mo(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Pr(2), one Mo(2), and one Mo(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(2), one Mo(1), and one Mo(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Mo(2), and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a distorted tetrahedral geometry to one Mg(1), one Pr(1), one Mo(1), and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2Mg(MoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.545
_cell_length_b   5.681
_cell_length_c   8.009
_cell_angle_alpha   90.108
_cell_angle_beta   89.844
_cell_angle_gamma   88.341
_symmetry_Int_Tables_number   1
_cell_volume   252.167
_cell_formula_units_Z   1
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  0.016  0.936  0.750  1.0
  Pr  Pr1  1  0.505  0.554  0.250  1.0
  Mg  Mg2  1  0.506  0.467  0.754  1.0
  Mo  Mo3  1  0.999  0.490  0.003  1.0
  Mo  Mo4  1  1.000  0.488  0.501  1.0
  Mo  Mo5  1  0.508  0.010  0.496  1.0
  Mo  Mo6  1  0.508  0.010  0.999  1.0
  O  O7  1  0.097  0.481  0.242  1.0
  O  O8  1  0.207  0.207  0.933  1.0
  O  O9  1  0.213  0.182  0.553  1.0
  O  O10  1  0.318  0.690  0.568  1.0
  O  O11  1  0.313  0.698  0.935  1.0
  O  O12  1  0.421  0.965  0.256  1.0
  O  O13  1  0.604  0.073  0.746  1.0
  O  O14  1  0.681  0.305  0.045  1.0
  O  O15  1  0.677  0.305  0.453  1.0
  O  O16  1  0.790  0.788  0.038  1.0
  O  O17  1  0.783  0.802  0.473  1.0
  O  O18  1  0.875  0.525  0.756  1.0
[/CIF]
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The material structure described by MgPr2(MoO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(5), and one O(8) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 24-39°. In the second Mo site, Mo(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 22-39°. In the third Mo site, Mo(3) is bonded to one O(11), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 22-39°. In the fourth Mo site, Mo(4) is bonded to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 24-37°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pr(2), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(1), one Mo(1), and one Mo(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Pr(1), one Mo(2), and one Mo(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Pr(1), one Pr(2), one Mo(2), and one Mo(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), one Pr(1), one Pr(2), one Mo(1), and one Mo(4) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Pr(2), one Mo(3), and one Mo(4) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Mg(1), one Pr(1), one Mo(3), and one Mo(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(2), one Mo(1), and one Mo(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Pr(2), one Mo(2), and one Mo(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(2), one Mo(1), and one Mo(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Mo(2), and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a distorted tetrahedral geometry to one Mg(1), one Pr(1), one Mo(1), and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2Mg(MoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.545
_cell_length_b   5.681
_cell_length_c   8.009
_cell_angle_alpha   90.108
_cell_angle_beta   89.844
_cell_angle_gamma   88.341
_symmetry_Int_Tables_number   1
_cell_volume   252.167
_cell_formula_units_Z   1
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  0.016  0.936  0.750  1.0
  Pr  Pr1  1  0.505  0.554  0.250  1.0
  Mg  Mg2  1  0.506  0.467  0.754  1.0
  Mo  Mo3  1  0.999  0.490  0.003  1.0
  Mo  Mo4  1  1.000  0.488  0.501  1.0
  Mo  Mo5  1  0.508  0.010  0.496  1.0
  Mo  Mo6  1  0.508  0.010  0.999  1.0
  O  O7  1  0.097  0.481  0.242  1.0
  O  O8  1  0.207  0.207  0.933  1.0
  O  O9  1  0.213  0.182  0.553  1.0
  O  O10  1  0.318  0.690  0.568  1.0
  O  O11  1  0.313  0.698  0.935  1.0
  O  O12  1  0.421  0.965  0.256  1.0
  O  O13  1  0.604  0.073  0.746  1.0
  O  O14  1  0.681  0.305  0.045  1.0
  O  O15  1  0.677  0.305  0.453  1.0
  O  O16  1  0.790  0.788  0.038  1.0
  O  O17  1  0.783  0.802  0.473  1.0
  O  O18  1  0.875  0.525  0.756  1.0
[/CIF]
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