The material described by Sr2Pr2MnCuO8 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Pr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(4) atoms. Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Pr(1), and one Mn(1) atom to form distorted OSr4PrMn octahedra that share corners with four equivalent O(4)Pr4Cu2 octahedra, corners with five equivalent O(1)Sr4PrMn octahedra, corners with eight equivalent O(3)Sr4Mn2 octahedra, edges with four equivalent O(1)Sr4PrMn octahedra, edges with four equivalent O(2)SrPr4Cu octahedra, and faces with four equivalent O(3)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Pr(1), and one Cu(1) atom to form distorted OSrPr4Cu octahedra that share corners with four equivalent O(3)Sr4Mn2 octahedra, corners with five equivalent O(2)SrPr4Cu octahedra, corners with eight equivalent O(4)Pr4Cu2 octahedra, edges with four equivalent O(1)Sr4PrMn octahedra, edges with four equivalent O(2)SrPr4Cu octahedra, and faces with four equivalent O(4)Pr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(3)Sr4Mn2 octahedra, corners with four equivalent O(2)SrPr4Cu octahedra, corners with eight equivalent O(1)Sr4PrMn octahedra, edges with two equivalent O(3)Sr4Mn2 octahedra, faces with four equivalent O(3)Sr4Mn2 octahedra, and faces with four equivalent O(1)Sr4PrMn octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the fourth O site, O(4) is bonded to four equivalent Pr(1) and two equivalent Cu(1) atoms to form distorted OPr4Cu2 octahedra that share corners with two equivalent O(4)Pr4Cu2 octahedra, corners with four equivalent O(1)Sr4PrMn octahedra, corners with eight equivalent O(2)SrPr4Cu octahedra, edges with two equivalent O(4)Pr4Cu2 octahedra, faces with four equivalent O(4)Pr4Cu2 octahedra, and faces with four equivalent O(2)SrPr4Cu octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF file [CIF]
data_Sr2Pr2MnCuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.864
_cell_length_b   3.864
_cell_length_c   12.588
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.938
_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  0.000  0.000  0.642  1.0
  Sr  Sr1  1  0.000  0.000  0.358  1.0
  Pr  Pr2  1  0.500  0.500  0.139  1.0
  Pr  Pr3  1  0.500  0.500  0.861  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.500  0.500  0.320  1.0
  O  O7  1  0.000  0.000  0.839  1.0
  O  O8  1  0.000  0.000  0.161  1.0
  O  O9  1  0.500  0.500  0.680  1.0
  O  O10  1  0.000  0.500  0.500  1.0
  O  O11  1  0.500  0.000  0.000  1.0
  O  O12  1  0.000  0.500  0.000  1.0
  O  O13  1  0.500  0.000  0.500  1.0
[/CIF]
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The material described by Sr2Pr2MnCuO8 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Pr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(4) atoms. Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Pr(1), and one Mn(1) atom to form distorted OSr4PrMn octahedra that share corners with four equivalent O(4)Pr4Cu2 octahedra, corners with five equivalent O(1)Sr4PrMn octahedra, corners with eight equivalent O(3)Sr4Mn2 octahedra, edges with four equivalent O(1)Sr4PrMn octahedra, edges with four equivalent O(2)SrPr4Cu octahedra, and faces with four equivalent O(3)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Pr(1), and one Cu(1) atom to form distorted OSrPr4Cu octahedra that share corners with four equivalent O(3)Sr4Mn2 octahedra, corners with five equivalent O(2)SrPr4Cu octahedra, corners with eight equivalent O(4)Pr4Cu2 octahedra, edges with four equivalent O(1)Sr4PrMn octahedra, edges with four equivalent O(2)SrPr4Cu octahedra, and faces with four equivalent O(4)Pr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(3)Sr4Mn2 octahedra, corners with four equivalent O(2)SrPr4Cu octahedra, corners with eight equivalent O(1)Sr4PrMn octahedra, edges with two equivalent O(3)Sr4Mn2 octahedra, faces with four equivalent O(3)Sr4Mn2 octahedra, and faces with four equivalent O(1)Sr4PrMn octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the fourth O site, O(4) is bonded to four equivalent Pr(1) and two equivalent Cu(1) atoms to form distorted OPr4Cu2 octahedra that share corners with two equivalent O(4)Pr4Cu2 octahedra, corners with four equivalent O(1)Sr4PrMn octahedra, corners with eight equivalent O(2)SrPr4Cu octahedra, edges with two equivalent O(4)Pr4Cu2 octahedra, faces with four equivalent O(4)Pr4Cu2 octahedra, and faces with four equivalent O(2)SrPr4Cu octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF file [CIF]
data_Sr2Pr2MnCuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.864
_cell_length_b   3.864
_cell_length_c   12.588
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.938
_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  0.000  0.000  0.642  1.0
  Sr  Sr1  1  0.000  0.000  0.358  1.0
  Pr  Pr2  1  0.500  0.500  0.139  1.0
  Pr  Pr3  1  0.500  0.500  0.861  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.500  0.500  0.320  1.0
  O  O7  1  0.000  0.000  0.839  1.0
  O  O8  1  0.000  0.000  0.161  1.0
  O  O9  1  0.500  0.500  0.680  1.0
  O  O10  1  0.000  0.500  0.500  1.0
  O  O11  1  0.500  0.000  0.000  1.0
  O  O12  1  0.000  0.500  0.000  1.0
  O  O13  1  0.500  0.000  0.500  1.0
[/CIF]
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