The material structure described by Ba2MgPr4(CuO5)2 crystallizes in the monoclinic Pm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Pr site, Pr(2) 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(4) atoms. In the third Pr site, Pr(3) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(1), and two equivalent O(3) atoms. In the fourth Pr site, Pr(4) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), one Pr(1), one Pr(2), one Pr(3), and one Cu(1) atom to form distorted OBaPr3Cu square pyramids that share  a cornercorner with one O(6)Ba2Pr4 octahedra, corners with four equivalent O(3)BaPr2MgCu square pyramids, corners with four equivalent O(4)BaPr3Cu square pyramids,  an edgeedge with one O(6)Ba2Pr4 octahedra,  an edgeedge with one O(3)BaPr2MgCu square pyramid,  an edgeedge with one O(1)BaPr3Cu square pyramid, and  a faceface with one O(1)BaPr3Cu square pyramid. The corner-sharing octahedral tilt angles are 38°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one Pr(2), one Pr(4), and one Cu(1) atom. In the third O site, O(3) is bonded to one Ba(2), one Mg(1), one Pr(1), one Pr(3), and one Cu(2) atom to form distorted OBaPr2MgCu square pyramids that share corners with two equivalent O(6)Ba2Pr4 octahedra, corners with two equivalent O(4)BaPr3Cu square pyramids, corners with four equivalent O(1)BaPr3Cu square pyramids,  an edgeedge with one O(3)BaPr2MgCu square pyramid,  an edgeedge with one O(1)BaPr3Cu square pyramid,  an edgeedge with one O(4)BaPr3Cu square pyramid, and  a faceface with one O(3)BaPr2MgCu square pyramid. The corner-sharing octahedral tilt angles range from 39-66°. In the fourth O site, O(4) is bonded to one Ba(1), one Pr(1), one Pr(2), one Pr(4), and one Cu(2) atom to form distorted OBaPr3Cu square pyramids that share corners with two equivalent O(6)Ba2Pr4 octahedra, corners with two equivalent O(3)BaPr2MgCu square pyramids, corners with four equivalent O(1)BaPr3Cu square pyramids,  an edgeedge with one O(3)BaPr2MgCu square pyramid,  an edgeedge with one O(4)BaPr3Cu square pyramid,  a faceface with one O(6)Ba2Pr4 octahedra, and  a faceface with one O(4)BaPr3Cu square pyramid. The corner-sharing octahedral tilt angles are 49°. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ba(2), one Mg(1), one Pr(2), and one Pr(4) atom. In the sixth O site, O(6) is bonded to two equivalent Ba(1), one Pr(1), one Pr(2), one Pr(3), and one Pr(4) atom to form distorted OBa2Pr4 octahedra that share corners with two equivalent O(6)Ba2Pr4 octahedra, corners with two equivalent O(1)BaPr3Cu square pyramids, corners with four equivalent O(3)BaPr2MgCu square pyramids, corners with four equivalent O(4)BaPr3Cu square pyramids, edges with two equivalent O(1)BaPr3Cu square pyramids, and faces with two equivalent O(4)BaPr3Cu square pyramids. The corner-sharing octahedral tilt angles are 22°. is represented by the CIF file [CIF]
data_Ba2Pr4Mg(CuO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.931
_cell_length_b   6.952
_cell_length_c   7.662
_cell_angle_alpha   81.594
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.536
_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  0.547  0.594  1.0
  Ba  Ba1  1  0.000  0.987  0.004  1.0
  Pr  Pr2  1  0.500  0.853  0.332  1.0
  Pr  Pr3  1  0.500  0.645  0.839  1.0
  Pr  Pr4  1  0.500  0.414  0.274  1.0
  Pr  Pr5  1  0.500  0.136  0.664  1.0
  Mg  Mg6  1  0.500  0.193  0.023  1.0
  Cu  Cu7  1  0.000  0.496  0.037  1.0
  Cu  Cu8  1  0.000  0.028  0.444  1.0
  O  O9  1  0.254  0.647  0.147  1.0
  O  O10  1  0.263  0.350  0.868  1.0
  O  O11  1  0.271  0.127  0.250  1.0
  O  O12  1  0.258  0.873  0.608  1.0
  O  O13  1  0.746  0.647  0.147  1.0
  O  O14  1  0.742  0.873  0.608  1.0
  O  O15  1  0.729  0.127  0.250  1.0
  O  O16  1  0.737  0.350  0.868  1.0
  O  O17  1  0.500  0.958  0.931  1.0
  O  O18  1  0.500  0.501  0.538  1.0
[/CIF]
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The material structure described by Ba2MgPr4(CuO5)2 crystallizes in the monoclinic Pm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Pr site, Pr(2) 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(4) atoms. In the third Pr site, Pr(3) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(1), and two equivalent O(3) atoms. In the fourth Pr site, Pr(4) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), one Pr(1), one Pr(2), one Pr(3), and one Cu(1) atom to form distorted OBaPr3Cu square pyramids that share  a cornercorner with one O(6)Ba2Pr4 octahedra, corners with four equivalent O(3)BaPr2MgCu square pyramids, corners with four equivalent O(4)BaPr3Cu square pyramids,  an edgeedge with one O(6)Ba2Pr4 octahedra,  an edgeedge with one O(3)BaPr2MgCu square pyramid,  an edgeedge with one O(1)BaPr3Cu square pyramid, and  a faceface with one O(1)BaPr3Cu square pyramid. The corner-sharing octahedral tilt angles are 38°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one Pr(2), one Pr(4), and one Cu(1) atom. In the third O site, O(3) is bonded to one Ba(2), one Mg(1), one Pr(1), one Pr(3), and one Cu(2) atom to form distorted OBaPr2MgCu square pyramids that share corners with two equivalent O(6)Ba2Pr4 octahedra, corners with two equivalent O(4)BaPr3Cu square pyramids, corners with four equivalent O(1)BaPr3Cu square pyramids,  an edgeedge with one O(3)BaPr2MgCu square pyramid,  an edgeedge with one O(1)BaPr3Cu square pyramid,  an edgeedge with one O(4)BaPr3Cu square pyramid, and  a faceface with one O(3)BaPr2MgCu square pyramid. The corner-sharing octahedral tilt angles range from 39-66°. In the fourth O site, O(4) is bonded to one Ba(1), one Pr(1), one Pr(2), one Pr(4), and one Cu(2) atom to form distorted OBaPr3Cu square pyramids that share corners with two equivalent O(6)Ba2Pr4 octahedra, corners with two equivalent O(3)BaPr2MgCu square pyramids, corners with four equivalent O(1)BaPr3Cu square pyramids,  an edgeedge with one O(3)BaPr2MgCu square pyramid,  an edgeedge with one O(4)BaPr3Cu square pyramid,  a faceface with one O(6)Ba2Pr4 octahedra, and  a faceface with one O(4)BaPr3Cu square pyramid. The corner-sharing octahedral tilt angles are 49°. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ba(2), one Mg(1), one Pr(2), and one Pr(4) atom. In the sixth O site, O(6) is bonded to two equivalent Ba(1), one Pr(1), one Pr(2), one Pr(3), and one Pr(4) atom to form distorted OBa2Pr4 octahedra that share corners with two equivalent O(6)Ba2Pr4 octahedra, corners with two equivalent O(1)BaPr3Cu square pyramids, corners with four equivalent O(3)BaPr2MgCu square pyramids, corners with four equivalent O(4)BaPr3Cu square pyramids, edges with two equivalent O(1)BaPr3Cu square pyramids, and faces with two equivalent O(4)BaPr3Cu square pyramids. The corner-sharing octahedral tilt angles are 22°. is represented by the CIF file [CIF]
data_Ba2Pr4Mg(CuO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.931
_cell_length_b   6.952
_cell_length_c   7.662
_cell_angle_alpha   81.594
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.536
_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  0.547  0.594  1.0
  Ba  Ba1  1  0.000  0.987  0.004  1.0
  Pr  Pr2  1  0.500  0.853  0.332  1.0
  Pr  Pr3  1  0.500  0.645  0.839  1.0
  Pr  Pr4  1  0.500  0.414  0.274  1.0
  Pr  Pr5  1  0.500  0.136  0.664  1.0
  Mg  Mg6  1  0.500  0.193  0.023  1.0
  Cu  Cu7  1  0.000  0.496  0.037  1.0
  Cu  Cu8  1  0.000  0.028  0.444  1.0
  O  O9  1  0.254  0.647  0.147  1.0
  O  O10  1  0.263  0.350  0.868  1.0
  O  O11  1  0.271  0.127  0.250  1.0
  O  O12  1  0.258  0.873  0.608  1.0
  O  O13  1  0.746  0.647  0.147  1.0
  O  O14  1  0.742  0.873  0.608  1.0
  O  O15  1  0.729  0.127  0.250  1.0
  O  O16  1  0.737  0.350  0.868  1.0
  O  O17  1  0.500  0.958  0.931  1.0
  O  O18  1  0.500  0.501  0.538  1.0
[/CIF]
.