The structure described by Ba2Pr2Co4O11 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Co(2)O6 octahedra, and faces with four equivalent Co(1)O5 square pyramids. Pr(1) is bonded in a 10-coordinate geometry to two equivalent O(3) and eight equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2) and four equivalent O(1) atoms to form CoO5 square pyramids that share corners with five equivalent Co(2)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the second Co site, Co(2) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with five equivalent Co(1)O5 square pyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Pr(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded to four equivalent Ba(1), one Co(1), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles are 7°. In the third O site, O(3) is bonded in a linear geometry to four equivalent Pr(1) and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Ba2Pr2Co4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.662
_cell_length_b   8.662
_cell_length_c   8.662
_cell_angle_alpha   141.861
_cell_angle_beta   141.861
_cell_angle_gamma   55.039
_symmetry_Int_Tables_number   1
_cell_volume   246.108
_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  0.750  0.250  0.500  1.0
  Ba  Ba1  1  0.250  0.750  0.500  1.0
  Pr  Pr2  1  0.000  0.500  0.500  1.0
  Pr  Pr3  1  0.500  0.000  0.500  1.0
  Co  Co4  1  0.375  0.375  0.000  1.0
  Co  Co5  1  0.879  0.879  0.000  1.0
  Co  Co6  1  0.625  0.625  0.000  1.0
  Co  Co7  1  0.121  0.121  0.000  1.0
  O  O8  1  0.158  0.158  0.526  1.0
  O  O9  1  0.632  0.632  0.474  1.0
  O  O10  1  0.368  0.368  0.526  1.0
  O  O11  1  0.842  0.842  0.474  1.0
  O  O12  1  0.632  0.158  0.000  1.0
  O  O13  1  0.158  0.632  0.000  1.0
  O  O14  1  0.368  0.842  0.000  1.0
  O  O15  1  0.842  0.368  0.000  1.0
  O  O16  1  0.239  0.239  0.000  1.0
  O  O17  1  0.761  0.761  0.000  1.0
  O  O18  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Ba2Pr2Co4O11 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Co(2)O6 octahedra, and faces with four equivalent Co(1)O5 square pyramids. Pr(1) is bonded in a 10-coordinate geometry to two equivalent O(3) and eight equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2) and four equivalent O(1) atoms to form CoO5 square pyramids that share corners with five equivalent Co(2)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the second Co site, Co(2) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with five equivalent Co(1)O5 square pyramids, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Pr(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded to four equivalent Ba(1), one Co(1), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles are 7°. In the third O site, O(3) is bonded in a linear geometry to four equivalent Pr(1) and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_Ba2Pr2Co4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.662
_cell_length_b   8.662
_cell_length_c   8.662
_cell_angle_alpha   141.861
_cell_angle_beta   141.861
_cell_angle_gamma   55.039
_symmetry_Int_Tables_number   1
_cell_volume   246.108
_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  0.750  0.250  0.500  1.0
  Ba  Ba1  1  0.250  0.750  0.500  1.0
  Pr  Pr2  1  0.000  0.500  0.500  1.0
  Pr  Pr3  1  0.500  0.000  0.500  1.0
  Co  Co4  1  0.375  0.375  0.000  1.0
  Co  Co5  1  0.879  0.879  0.000  1.0
  Co  Co6  1  0.625  0.625  0.000  1.0
  Co  Co7  1  0.121  0.121  0.000  1.0
  O  O8  1  0.158  0.158  0.526  1.0
  O  O9  1  0.632  0.632  0.474  1.0
  O  O10  1  0.368  0.368  0.526  1.0
  O  O11  1  0.842  0.842  0.474  1.0
  O  O12  1  0.632  0.158  0.000  1.0
  O  O13  1  0.158  0.632  0.000  1.0
  O  O14  1  0.368  0.842  0.000  1.0
  O  O15  1  0.842  0.368  0.000  1.0
  O  O16  1  0.239  0.239  0.000  1.0
  O  O17  1  0.761  0.761  0.000  1.0
  O  O18  1  0.000  0.000  0.000  1.0
[/CIF]
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