The material described by MgPr2Ti4O12 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(7) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(5), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(8) atom to form corner-sharing TiO5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Pr(2), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to one Mg(1), one Pr(1), one Ti(1), and one Ti(2) atom to form distorted OPrMgTi2 trigonal pyramids that share corners with three equivalent O(7)Pr2MgTi tetrahedra, corners with two equivalent O(2)PrMgTi2 trigonal pyramids,  an edgeedge with one O(7)Pr2MgTi tetrahedra, and  an edgeedge with one O(4)PrMgTi2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Pr(2), and two equivalent Ti(2) atoms to form distorted OPrMgTi2 tetrahedra that share corners with two equivalent O(7)Pr2MgTi tetrahedra, edges with two equivalent O(7)Pr2MgTi tetrahedra, and edges with two equivalent O(2)PrMgTi2 trigonal pyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Ti(2) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Pr(2), one Ti(1), and one Ti(2) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Pr(1), one Pr(2), and one Ti(2) atom to form distorted OPr2MgTi tetrahedra that share  a cornercorner with one O(7)Pr2MgTi tetrahedra,  a cornercorner with one O(4)PrMgTi2 tetrahedra, corners with three equivalent O(2)PrMgTi2 trigonal pyramids,  an edgeedge with one O(7)Pr2MgTi tetrahedra,  an edgeedge with one O(4)PrMgTi2 tetrahedra, and  an edgeedge with one O(2)PrMgTi2 trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Pr(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2MgTi4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.459
_cell_length_b   6.078
_cell_length_c   7.431
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.870
_symmetry_Int_Tables_number   1
_cell_volume   245.264
_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  0.991  0.874  0.750  1.0
  Pr  Pr1  1  0.514  0.617  0.250  1.0
  Mg  Mg2  1  0.027  0.030  0.250  1.0
  Ti  Ti3  1  0.048  0.421  0.986  1.0
  Ti  Ti4  1  0.048  0.421  0.514  1.0
  Ti  Ti5  1  0.531  0.070  0.497  1.0
  Ti  Ti6  1  0.531  0.070  0.003  1.0
  O  O7  1  0.102  0.383  0.250  1.0
  O  O8  1  0.195  0.164  0.946  1.0
  O  O9  1  0.195  0.164  0.554  1.0
  O  O10  1  0.249  0.679  0.512  1.0
  O  O11  1  0.249  0.679  0.988  1.0
  O  O12  1  0.388  0.998  0.250  1.0
  O  O13  1  0.582  0.018  0.750  1.0
  O  O14  1  0.693  0.338  0.050  1.0
  O  O15  1  0.693  0.338  0.450  1.0
  O  O16  1  0.778  0.883  0.060  1.0
  O  O17  1  0.778  0.883  0.440  1.0
  O  O18  1  0.929  0.482  0.750  1.0
[/CIF]
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The material described by MgPr2Ti4O12 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(7) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(5), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(8) atom to form corner-sharing TiO5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Pr(2), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to one Mg(1), one Pr(1), one Ti(1), and one Ti(2) atom to form distorted OPrMgTi2 trigonal pyramids that share corners with three equivalent O(7)Pr2MgTi tetrahedra, corners with two equivalent O(2)PrMgTi2 trigonal pyramids,  an edgeedge with one O(7)Pr2MgTi tetrahedra, and  an edgeedge with one O(4)PrMgTi2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Pr(2), and two equivalent Ti(2) atoms to form distorted OPrMgTi2 tetrahedra that share corners with two equivalent O(7)Pr2MgTi tetrahedra, edges with two equivalent O(7)Pr2MgTi tetrahedra, and edges with two equivalent O(2)PrMgTi2 trigonal pyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Ti(2) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Pr(2), one Ti(1), and one Ti(2) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Pr(1), one Pr(2), and one Ti(2) atom to form distorted OPr2MgTi tetrahedra that share  a cornercorner with one O(7)Pr2MgTi tetrahedra,  a cornercorner with one O(4)PrMgTi2 tetrahedra, corners with three equivalent O(2)PrMgTi2 trigonal pyramids,  an edgeedge with one O(7)Pr2MgTi tetrahedra,  an edgeedge with one O(4)PrMgTi2 tetrahedra, and  an edgeedge with one O(2)PrMgTi2 trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Pr(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2MgTi4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.459
_cell_length_b   6.078
_cell_length_c   7.431
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.870
_symmetry_Int_Tables_number   1
_cell_volume   245.264
_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  0.991  0.874  0.750  1.0
  Pr  Pr1  1  0.514  0.617  0.250  1.0
  Mg  Mg2  1  0.027  0.030  0.250  1.0
  Ti  Ti3  1  0.048  0.421  0.986  1.0
  Ti  Ti4  1  0.048  0.421  0.514  1.0
  Ti  Ti5  1  0.531  0.070  0.497  1.0
  Ti  Ti6  1  0.531  0.070  0.003  1.0
  O  O7  1  0.102  0.383  0.250  1.0
  O  O8  1  0.195  0.164  0.946  1.0
  O  O9  1  0.195  0.164  0.554  1.0
  O  O10  1  0.249  0.679  0.512  1.0
  O  O11  1  0.249  0.679  0.988  1.0
  O  O12  1  0.388  0.998  0.250  1.0
  O  O13  1  0.582  0.018  0.750  1.0
  O  O14  1  0.693  0.338  0.050  1.0
  O  O15  1  0.693  0.338  0.450  1.0
  O  O16  1  0.778  0.883  0.060  1.0
  O  O17  1  0.778  0.883  0.440  1.0
  O  O18  1  0.929  0.482  0.750  1.0
[/CIF]
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