The material described by Ba4PrMn3O12 crystallizes in the trigonal R-3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Mn(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Pr(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. Pr(1) is bonded to six equivalent O(2) atoms to form PrO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Pr(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the second Mn site, Mn(2) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share faces with six equivalent Ba(2)O12 cuboctahedra and faces with two equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), three equivalent Ba(2), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(2), two equivalent Ba(1), one Pr(1), and one Mn(1) atom. is represented by the CIF file [CIF]
data_Ba4PrMn3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.552
_cell_length_b   10.552
_cell_length_c   10.552
_cell_angle_alpha   32.556
_cell_angle_beta   32.556
_cell_angle_gamma   32.556
_symmetry_Int_Tables_number   1
_cell_volume   302.587
_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  0.278  0.278  0.278  1.0
  Ba  Ba1  1  0.131  0.131  0.131  1.0
  Ba  Ba2  1  0.722  0.722  0.722  1.0
  Ba  Ba3  1  0.869  0.869  0.869  1.0
  Pr  Pr4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.586  0.586  0.586  1.0
  Mn  Mn6  1  0.414  0.414  0.414  1.0
  Mn  Mn7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.394  0.394  0.834  1.0
  O  O9  1  0.606  0.166  0.606  1.0
  O  O10  1  0.690  0.227  0.227  1.0
  O  O11  1  0.227  0.690  0.227  1.0
  O  O12  1  0.394  0.834  0.394  1.0
  O  O13  1  0.773  0.773  0.310  1.0
  O  O14  1  0.166  0.606  0.606  1.0
  O  O15  1  0.227  0.227  0.690  1.0
  O  O16  1  0.773  0.310  0.773  1.0
  O  O17  1  0.834  0.394  0.394  1.0
  O  O18  1  0.606  0.606  0.166  1.0
  O  O19  1  0.310  0.773  0.773  1.0
[/CIF]
.
The material described by Ba4PrMn3O12 crystallizes in the trigonal R-3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Mn(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Pr(1)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. Pr(1) is bonded to six equivalent O(2) atoms to form PrO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Pr(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the second Mn site, Mn(2) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share faces with six equivalent Ba(2)O12 cuboctahedra and faces with two equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), three equivalent Ba(2), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(2), two equivalent Ba(1), one Pr(1), and one Mn(1) atom. is represented by the CIF file [CIF]
data_Ba4PrMn3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.552
_cell_length_b   10.552
_cell_length_c   10.552
_cell_angle_alpha   32.556
_cell_angle_beta   32.556
_cell_angle_gamma   32.556
_symmetry_Int_Tables_number   1
_cell_volume   302.587
_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  0.278  0.278  0.278  1.0
  Ba  Ba1  1  0.131  0.131  0.131  1.0
  Ba  Ba2  1  0.722  0.722  0.722  1.0
  Ba  Ba3  1  0.869  0.869  0.869  1.0
  Pr  Pr4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.586  0.586  0.586  1.0
  Mn  Mn6  1  0.414  0.414  0.414  1.0
  Mn  Mn7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.394  0.394  0.834  1.0
  O  O9  1  0.606  0.166  0.606  1.0
  O  O10  1  0.690  0.227  0.227  1.0
  O  O11  1  0.227  0.690  0.227  1.0
  O  O12  1  0.394  0.834  0.394  1.0
  O  O13  1  0.773  0.773  0.310  1.0
  O  O14  1  0.166  0.606  0.606  1.0
  O  O15  1  0.227  0.227  0.690  1.0
  O  O16  1  0.773  0.310  0.773  1.0
  O  O17  1  0.834  0.394  0.394  1.0
  O  O18  1  0.606  0.606  0.166  1.0
  O  O19  1  0.310  0.773  0.773  1.0
[/CIF]
.