The material structure described by SrPrMnO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(3) atoms. Pr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Mn(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Pr(1), and one Mn(1) atom to form distorted OSrPr4Mn octahedra that share  a cornercorner with one O(2)Sr4PrMn octahedra, corners with four equivalent O(1)SrPr4Mn octahedra, corners with twelve equivalent O(3)Sr2Pr2Mn2 octahedra, edges with four equivalent O(2)Sr4PrMn octahedra, edges with four equivalent O(1)SrPr4Mn octahedra, and faces with four equivalent O(3)Sr2Pr2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Pr(1), and one Mn(1) atom to form distorted OSr4PrMn octahedra that share  a cornercorner with one O(1)SrPr4Mn octahedra, corners with four equivalent O(2)Sr4PrMn octahedra, corners with twelve equivalent O(3)Sr2Pr2Mn2 octahedra, edges with four equivalent O(2)Sr4PrMn octahedra, edges with four equivalent O(1)SrPr4Mn octahedra, and faces with four equivalent O(3)Sr2Pr2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Mn(1) atoms to form distorted OSr2Pr2Mn2 octahedra that share corners with two equivalent O(3)Sr2Pr2Mn2 octahedra, corners with six equivalent O(2)Sr4PrMn octahedra, corners with six equivalent O(1)SrPr4Mn octahedra, edges with two equivalent O(3)Sr2Pr2Mn2 octahedra, faces with two equivalent O(2)Sr4PrMn octahedra, faces with two equivalent O(1)SrPr4Mn octahedra, and faces with four equivalent O(3)Sr2Pr2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 8-54°. is represented by the CIF card [CIF]
data_SrPrMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.984
_cell_length_b   6.984
_cell_length_c   6.984
_cell_angle_alpha   147.858
_cell_angle_beta   147.858
_cell_angle_gamma   46.094
_symmetry_Int_Tables_number   1
_cell_volume   96.095
_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  0.645  0.645  0.000  1.0
  Pr  Pr1  1  0.358  0.358  0.000  1.0
  Mn  Mn2  1  0.003  0.003  0.000  1.0
  O  O3  1  0.833  0.833  0.000  1.0
  O  O4  1  0.176  0.176  0.000  1.0
  O  O5  1  0.993  0.493  0.500  1.0
  O  O6  1  0.493  0.993  0.500  1.0
[/CIF]
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The material structure described by SrPrMnO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(3) atoms. Pr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Mn(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Pr(1), and one Mn(1) atom to form distorted OSrPr4Mn octahedra that share  a cornercorner with one O(2)Sr4PrMn octahedra, corners with four equivalent O(1)SrPr4Mn octahedra, corners with twelve equivalent O(3)Sr2Pr2Mn2 octahedra, edges with four equivalent O(2)Sr4PrMn octahedra, edges with four equivalent O(1)SrPr4Mn octahedra, and faces with four equivalent O(3)Sr2Pr2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Pr(1), and one Mn(1) atom to form distorted OSr4PrMn octahedra that share  a cornercorner with one O(1)SrPr4Mn octahedra, corners with four equivalent O(2)Sr4PrMn octahedra, corners with twelve equivalent O(3)Sr2Pr2Mn2 octahedra, edges with four equivalent O(2)Sr4PrMn octahedra, edges with four equivalent O(1)SrPr4Mn octahedra, and faces with four equivalent O(3)Sr2Pr2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Mn(1) atoms to form distorted OSr2Pr2Mn2 octahedra that share corners with two equivalent O(3)Sr2Pr2Mn2 octahedra, corners with six equivalent O(2)Sr4PrMn octahedra, corners with six equivalent O(1)SrPr4Mn octahedra, edges with two equivalent O(3)Sr2Pr2Mn2 octahedra, faces with two equivalent O(2)Sr4PrMn octahedra, faces with two equivalent O(1)SrPr4Mn octahedra, and faces with four equivalent O(3)Sr2Pr2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 8-54°. is represented by the CIF card [CIF]
data_SrPrMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.984
_cell_length_b   6.984
_cell_length_c   6.984
_cell_angle_alpha   147.858
_cell_angle_beta   147.858
_cell_angle_gamma   46.094
_symmetry_Int_Tables_number   1
_cell_volume   96.095
_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  0.645  0.645  0.000  1.0
  Pr  Pr1  1  0.358  0.358  0.000  1.0
  Mn  Mn2  1  0.003  0.003  0.000  1.0
  O  O3  1  0.833  0.833  0.000  1.0
  O  O4  1  0.176  0.176  0.000  1.0
  O  O5  1  0.993  0.493  0.500  1.0
  O  O6  1  0.493  0.993  0.500  1.0
[/CIF]
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