The structure described by Ba2MgPr4(CuO5)2 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. In the second Pr site, Pr(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Mg(1), one Pr(1), and one Cu(1) atom. In the second O site, O(2) is bonded to two equivalent Ba(1), one Pr(2), two equivalent Pr(1), and one Cu(2) atom to form distorted OBa2Pr3Cu octahedra that share corners with four equivalent O(3)Ba2Pr4 octahedra, corners with five equivalent O(2)Ba2Pr3Cu octahedra,  an edgeedge with one O(2)Ba2Pr3Cu octahedra, faces with two equivalent O(3)Ba2Pr4 octahedra, and faces with three equivalent O(2)Ba2Pr3Cu octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Pr(2) atoms to form distorted OBa2Pr4 octahedra that share corners with six equivalent O(3)Ba2Pr4 octahedra, corners with eight equivalent O(2)Ba2Pr3Cu octahedra, and faces with four equivalent O(2)Ba2Pr3Cu octahedra. The corner-sharing octahedral tilt angles range from 0-62°. is represented by the CIF file [CIF]
data_Ba2Pr4Mg(CuO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   7.449
_cell_length_c   7.449
_cell_angle_alpha   99.666
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   327.874
_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
  Ba  Ba0  1  0.000  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Pr  Pr2  1  0.500  0.825  0.325  1.0
  Pr  Pr3  1  0.500  0.734  0.766  1.0
  Pr  Pr4  1  0.500  0.266  0.234  1.0
  Pr  Pr5  1  0.500  0.175  0.675  1.0
  Mg  Mg6  1  0.500  0.500  0.000  1.0
  Cu  Cu7  1  0.000  0.500  0.000  1.0
  Cu  Cu8  1  0.000  0.000  0.500  1.0
  O  O9  1  0.261  0.644  0.144  1.0
  O  O10  1  0.261  0.356  0.856  1.0
  O  O11  1  0.247  0.128  0.372  1.0
  O  O12  1  0.247  0.872  0.628  1.0
  O  O13  1  0.739  0.644  0.144  1.0
  O  O14  1  0.753  0.872  0.628  1.0
  O  O15  1  0.753  0.128  0.372  1.0
  O  O16  1  0.739  0.356  0.856  1.0
  O  O17  1  0.500  0.000  0.000  1.0
  O  O18  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by Ba2MgPr4(CuO5)2 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. In the second Pr site, Pr(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Mg(1), one Pr(1), and one Cu(1) atom. In the second O site, O(2) is bonded to two equivalent Ba(1), one Pr(2), two equivalent Pr(1), and one Cu(2) atom to form distorted OBa2Pr3Cu octahedra that share corners with four equivalent O(3)Ba2Pr4 octahedra, corners with five equivalent O(2)Ba2Pr3Cu octahedra,  an edgeedge with one O(2)Ba2Pr3Cu octahedra, faces with two equivalent O(3)Ba2Pr4 octahedra, and faces with three equivalent O(2)Ba2Pr3Cu octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Pr(2) atoms to form distorted OBa2Pr4 octahedra that share corners with six equivalent O(3)Ba2Pr4 octahedra, corners with eight equivalent O(2)Ba2Pr3Cu octahedra, and faces with four equivalent O(2)Ba2Pr3Cu octahedra. The corner-sharing octahedral tilt angles range from 0-62°. is represented by the CIF file [CIF]
data_Ba2Pr4Mg(CuO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   7.449
_cell_length_c   7.449
_cell_angle_alpha   99.666
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   327.874
_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
  Ba  Ba0  1  0.000  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Pr  Pr2  1  0.500  0.825  0.325  1.0
  Pr  Pr3  1  0.500  0.734  0.766  1.0
  Pr  Pr4  1  0.500  0.266  0.234  1.0
  Pr  Pr5  1  0.500  0.175  0.675  1.0
  Mg  Mg6  1  0.500  0.500  0.000  1.0
  Cu  Cu7  1  0.000  0.500  0.000  1.0
  Cu  Cu8  1  0.000  0.000  0.500  1.0
  O  O9  1  0.261  0.644  0.144  1.0
  O  O10  1  0.261  0.356  0.856  1.0
  O  O11  1  0.247  0.128  0.372  1.0
  O  O12  1  0.247  0.872  0.628  1.0
  O  O13  1  0.739  0.644  0.144  1.0
  O  O14  1  0.753  0.872  0.628  1.0
  O  O15  1  0.753  0.128  0.372  1.0
  O  O16  1  0.739  0.356  0.856  1.0
  O  O17  1  0.500  0.000  0.000  1.0
  O  O18  1  0.500  0.500  0.500  1.0
[/CIF]
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