The material structure described by MgPrMn2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 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(3) atoms. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 27-39°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Pr(1), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OPrMgMn2 tetrahedra. In the second O site, O(2) is bonded to one Mg(1), one Pr(1), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OPrMgMn2 trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Pr(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(1), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrMgMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.303
_cell_length_b   5.471
_cell_length_c   7.653
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.035
_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  0.010  0.707  0.000  1.0
  Pr  Pr1  1  0.510  0.293  0.500  1.0
  Mg  Mg2  1  0.477  0.190  0.000  1.0
  Mg  Mg3  1  0.977  0.810  0.500  1.0
  Mn  Mn4  1  1.000  0.248  0.751  1.0
  Mn  Mn5  1  1.000  0.248  0.249  1.0
  Mn  Mn6  1  0.500  0.752  0.251  1.0
  Mn  Mn7  1  0.500  0.752  0.749  1.0
  O  O8  1  0.078  0.204  0.500  1.0
  O  O9  1  0.223  0.974  0.803  1.0
  O  O10  1  0.223  0.974  0.197  1.0
  O  O11  1  0.307  0.446  0.193  1.0
  O  O12  1  0.307  0.446  0.807  1.0
  O  O13  1  0.375  0.729  0.500  1.0
  O  O14  1  0.578  0.796  0.000  1.0
  O  O15  1  0.723  0.026  0.697  1.0
  O  O16  1  0.723  0.026  0.303  1.0
  O  O17  1  0.807  0.554  0.693  1.0
  O  O18  1  0.807  0.554  0.307  1.0
  O  O19  1  0.875  0.271  0.000  1.0
[/CIF]
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The material structure described by MgPrMn2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 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(3) atoms. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 27-39°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Pr(1), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OPrMgMn2 tetrahedra. In the second O site, O(2) is bonded to one Mg(1), one Pr(1), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OPrMgMn2 trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Pr(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(1), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrMgMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.303
_cell_length_b   5.471
_cell_length_c   7.653
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.035
_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  0.010  0.707  0.000  1.0
  Pr  Pr1  1  0.510  0.293  0.500  1.0
  Mg  Mg2  1  0.477  0.190  0.000  1.0
  Mg  Mg3  1  0.977  0.810  0.500  1.0
  Mn  Mn4  1  1.000  0.248  0.751  1.0
  Mn  Mn5  1  1.000  0.248  0.249  1.0
  Mn  Mn6  1  0.500  0.752  0.251  1.0
  Mn  Mn7  1  0.500  0.752  0.749  1.0
  O  O8  1  0.078  0.204  0.500  1.0
  O  O9  1  0.223  0.974  0.803  1.0
  O  O10  1  0.223  0.974  0.197  1.0
  O  O11  1  0.307  0.446  0.193  1.0
  O  O12  1  0.307  0.446  0.807  1.0
  O  O13  1  0.375  0.729  0.500  1.0
  O  O14  1  0.578  0.796  0.000  1.0
  O  O15  1  0.723  0.026  0.697  1.0
  O  O16  1  0.723  0.026  0.303  1.0
  O  O17  1  0.807  0.554  0.693  1.0
  O  O18  1  0.807  0.554  0.307  1.0
  O  O19  1  0.875  0.271  0.000  1.0
[/CIF]
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