The compound described by SrPr3(FeO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 20-27°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 20-27°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Pr(1), one Pr(3), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Pr(1), one Pr(2), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Pr(2), one Pr(3), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Pr(1), and two equivalent Fe(1) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Pr(1), and two equivalent Fe(2) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Fe(1) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_SrPr3(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.856
_cell_length_b   5.550
_cell_length_c   5.611
_cell_angle_alpha   89.823
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.678
_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
  Sr  Sr0  1  0.500  0.494  0.531  1.0
  Pr  Pr1  1  0.500  0.013  0.043  1.0
  Pr  Pr2  1  0.000  0.508  0.455  1.0
  Pr  Pr3  1  0.000  0.992  0.959  1.0
  Fe  Fe4  1  0.251  0.500  0.997  1.0
  Fe  Fe5  1  0.749  0.001  0.501  1.0
  Fe  Fe6  1  0.749  0.500  0.997  1.0
  Fe  Fe7  1  0.251  0.001  0.501  1.0
  O  O8  1  0.286  0.205  0.794  1.0
  O  O9  1  0.718  0.279  0.281  1.0
  O  O10  1  0.795  0.783  0.216  1.0
  O  O11  1  0.203  0.716  0.714  1.0
  O  O12  1  0.205  0.783  0.216  1.0
  O  O13  1  0.797  0.716  0.714  1.0
  O  O14  1  0.714  0.205  0.794  1.0
  O  O15  1  0.282  0.279  0.281  1.0
  O  O16  1  0.500  0.582  0.992  1.0
  O  O17  1  0.500  0.941  0.480  1.0
  O  O18  1  0.000  0.424  0.015  1.0
  O  O19  1  0.000  0.078  0.518  1.0
[/CIF]
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The compound described by SrPr3(FeO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 20-27°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 20-27°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Pr(1), one Pr(3), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Pr(1), one Pr(2), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Pr(2), one Pr(3), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Pr(1), and two equivalent Fe(1) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Pr(1), and two equivalent Fe(2) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Fe(1) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_SrPr3(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.856
_cell_length_b   5.550
_cell_length_c   5.611
_cell_angle_alpha   89.823
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.678
_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
  Sr  Sr0  1  0.500  0.494  0.531  1.0
  Pr  Pr1  1  0.500  0.013  0.043  1.0
  Pr  Pr2  1  0.000  0.508  0.455  1.0
  Pr  Pr3  1  0.000  0.992  0.959  1.0
  Fe  Fe4  1  0.251  0.500  0.997  1.0
  Fe  Fe5  1  0.749  0.001  0.501  1.0
  Fe  Fe6  1  0.749  0.500  0.997  1.0
  Fe  Fe7  1  0.251  0.001  0.501  1.0
  O  O8  1  0.286  0.205  0.794  1.0
  O  O9  1  0.718  0.279  0.281  1.0
  O  O10  1  0.795  0.783  0.216  1.0
  O  O11  1  0.203  0.716  0.714  1.0
  O  O12  1  0.205  0.783  0.216  1.0
  O  O13  1  0.797  0.716  0.714  1.0
  O  O14  1  0.714  0.205  0.794  1.0
  O  O15  1  0.282  0.279  0.281  1.0
  O  O16  1  0.500  0.582  0.992  1.0
  O  O17  1  0.500  0.941  0.480  1.0
  O  O18  1  0.000  0.424  0.015  1.0
  O  O19  1  0.000  0.078  0.518  1.0
[/CIF]
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