The crystal structure described by SrPr2O4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form edge-sharing PrO6 octahedra. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(4), and three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and three equivalent Pr(2) atoms to form a mixture of distorted edge and corner-sharing OSr2Pr3 trigonal bipyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Pr(2), and two equivalent Pr(1) atoms. In the third O site, O(3) is bonded to two equivalent Sr(1) and three equivalent Pr(1) atoms to form a mixture of distorted edge and corner-sharing OSr2Pr3 square pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Pr(1), and two equivalent Pr(2) atoms. is represented by the CIF card [CIF]
data_SrPr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.617
_cell_length_b   10.424
_cell_length_c   12.470
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   470.177
_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
  Sr  Sr0  1  0.250  0.252  0.146  1.0
  Sr  Sr1  1  0.750  0.748  0.854  1.0
  Sr  Sr2  1  0.750  0.248  0.646  1.0
  Sr  Sr3  1  0.250  0.752  0.354  1.0
  Pr  Pr4  1  0.250  0.429  0.884  1.0
  Pr  Pr5  1  0.750  0.571  0.116  1.0
  Pr  Pr6  1  0.750  0.071  0.384  1.0
  Pr  Pr7  1  0.250  0.929  0.616  1.0
  Pr  Pr8  1  0.250  0.912  0.110  1.0
  Pr  Pr9  1  0.750  0.088  0.890  1.0
  Pr  Pr10  1  0.750  0.588  0.610  1.0
  Pr  Pr11  1  0.250  0.412  0.390  1.0
  O  O12  1  0.250  0.429  0.583  1.0
  O  O13  1  0.750  0.571  0.417  1.0
  O  O14  1  0.750  0.071  0.083  1.0
  O  O15  1  0.250  0.929  0.917  1.0
  O  O16  1  0.250  0.496  0.213  1.0
  O  O17  1  0.750  0.504  0.787  1.0
  O  O18  1  0.750  0.004  0.713  1.0
  O  O19  1  0.250  0.996  0.287  1.0
  O  O20  1  0.250  0.137  0.516  1.0
  O  O21  1  0.750  0.863  0.484  1.0
  O  O22  1  0.750  0.363  0.016  1.0
  O  O23  1  0.250  0.637  0.984  1.0
  O  O24  1  0.250  0.718  0.687  1.0
  O  O25  1  0.750  0.282  0.313  1.0
  O  O26  1  0.750  0.782  0.187  1.0
  O  O27  1  0.250  0.218  0.813  1.0
[/CIF]
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The crystal structure described by SrPr2O4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form edge-sharing PrO6 octahedra. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(4), and three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and three equivalent Pr(2) atoms to form a mixture of distorted edge and corner-sharing OSr2Pr3 trigonal bipyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Pr(2), and two equivalent Pr(1) atoms. In the third O site, O(3) is bonded to two equivalent Sr(1) and three equivalent Pr(1) atoms to form a mixture of distorted edge and corner-sharing OSr2Pr3 square pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Pr(1), and two equivalent Pr(2) atoms. is represented by the CIF card [CIF]
data_SrPr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.617
_cell_length_b   10.424
_cell_length_c   12.470
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   470.177
_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
  Sr  Sr0  1  0.250  0.252  0.146  1.0
  Sr  Sr1  1  0.750  0.748  0.854  1.0
  Sr  Sr2  1  0.750  0.248  0.646  1.0
  Sr  Sr3  1  0.250  0.752  0.354  1.0
  Pr  Pr4  1  0.250  0.429  0.884  1.0
  Pr  Pr5  1  0.750  0.571  0.116  1.0
  Pr  Pr6  1  0.750  0.071  0.384  1.0
  Pr  Pr7  1  0.250  0.929  0.616  1.0
  Pr  Pr8  1  0.250  0.912  0.110  1.0
  Pr  Pr9  1  0.750  0.088  0.890  1.0
  Pr  Pr10  1  0.750  0.588  0.610  1.0
  Pr  Pr11  1  0.250  0.412  0.390  1.0
  O  O12  1  0.250  0.429  0.583  1.0
  O  O13  1  0.750  0.571  0.417  1.0
  O  O14  1  0.750  0.071  0.083  1.0
  O  O15  1  0.250  0.929  0.917  1.0
  O  O16  1  0.250  0.496  0.213  1.0
  O  O17  1  0.750  0.504  0.787  1.0
  O  O18  1  0.750  0.004  0.713  1.0
  O  O19  1  0.250  0.996  0.287  1.0
  O  O20  1  0.250  0.137  0.516  1.0
  O  O21  1  0.750  0.863  0.484  1.0
  O  O22  1  0.750  0.363  0.016  1.0
  O  O23  1  0.250  0.637  0.984  1.0
  O  O24  1  0.250  0.718  0.687  1.0
  O  O25  1  0.750  0.282  0.313  1.0
  O  O26  1  0.750  0.782  0.187  1.0
  O  O27  1  0.250  0.218  0.813  1.0
[/CIF]
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