The material structure described by BaPr2Mn3O9 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 12-coordinate geometry to one O(4), one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(5), and four equivalent O(3) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 12-coordinate geometry to one O(5), two equivalent O(3), three equivalent O(6), and six equivalent O(2) atoms. In the second Pr site, Pr(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 14-23°. In the second Mn site, Mn(2) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 8-27°. In the third Mn site, Mn(3) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 8-19°. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 14-27°. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Pr(2), one Mn(1), and one Mn(4) atom. In the second O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Pr(1), one Mn(2), and one Mn(4) atom. In the third O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Pr(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Pr(2), one Mn(1), and one Mn(4) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), three equivalent Pr(1), one Mn(2), and one Mn(3) atom. In the sixth O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Pr(1), one Pr(2), one Mn(2), and one Mn(4) atom. is represented by the CIF file [CIF]
data_BaPr2Mn3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.600
_cell_length_b   5.600
_cell_length_c   13.701
_cell_angle_alpha   89.328
_cell_angle_beta   89.328
_cell_angle_gamma   59.807
_symmetry_Int_Tables_number   1
_cell_volume   371.310
_cell_formula_units_Z   2
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  0.506  0.506  0.750  1.0
  Ba  Ba1  1  0.494  0.494  0.250  1.0
  Pr  Pr2  1  0.824  0.824  0.076  1.0
  Pr  Pr3  1  0.159  0.159  0.419  1.0
  Pr  Pr4  1  0.841  0.841  0.581  1.0
  Pr  Pr5  1  0.176  0.176  0.924  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Mn  Mn7  1  0.837  0.837  0.830  1.0
  Mn  Mn8  1  0.163  0.163  0.170  1.0
  Mn  Mn9  1  0.500  0.500  0.000  1.0
  Mn  Mn10  1  0.831  0.831  0.333  1.0
  Mn  Mn11  1  0.169  0.169  0.667  1.0
  O  O12  1  0.824  0.297  0.586  1.0
  O  O13  1  0.142  0.643  0.931  1.0
  O  O14  1  0.469  0.990  0.266  1.0
  O  O15  1  0.010  0.531  0.734  1.0
  O  O16  1  0.357  0.858  0.069  1.0
  O  O17  1  0.703  0.176  0.414  1.0
  O  O18  1  0.297  0.824  0.586  1.0
  O  O19  1  0.643  0.142  0.931  1.0
  O  O20  1  0.990  0.469  0.266  1.0
  O  O21  1  0.531  0.010  0.734  1.0
  O  O22  1  0.858  0.357  0.069  1.0
  O  O23  1  0.176  0.703  0.414  1.0
  O  O24  1  0.689  0.689  0.441  1.0
  O  O25  1  0.030  0.030  0.777  1.0
  O  O26  1  0.341  0.341  0.093  1.0
  O  O27  1  0.659  0.659  0.907  1.0
  O  O28  1  0.970  0.970  0.223  1.0
  O  O29  1  0.311  0.311  0.559  1.0
[/CIF]
.
The material structure described by BaPr2Mn3O9 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 12-coordinate geometry to one O(4), one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(5), and four equivalent O(3) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 12-coordinate geometry to one O(5), two equivalent O(3), three equivalent O(6), and six equivalent O(2) atoms. In the second Pr site, Pr(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 14-23°. In the second Mn site, Mn(2) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 8-27°. In the third Mn site, Mn(3) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 8-19°. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 14-27°. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Pr(2), one Mn(1), and one Mn(4) atom. In the second O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Pr(1), one Mn(2), and one Mn(4) atom. In the third O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Pr(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Pr(2), one Mn(1), and one Mn(4) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), three equivalent Pr(1), one Mn(2), and one Mn(3) atom. In the sixth O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Pr(1), one Pr(2), one Mn(2), and one Mn(4) atom. is represented by the CIF file [CIF]
data_BaPr2Mn3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.600
_cell_length_b   5.600
_cell_length_c   13.701
_cell_angle_alpha   89.328
_cell_angle_beta   89.328
_cell_angle_gamma   59.807
_symmetry_Int_Tables_number   1
_cell_volume   371.310
_cell_formula_units_Z   2
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  0.506  0.506  0.750  1.0
  Ba  Ba1  1  0.494  0.494  0.250  1.0
  Pr  Pr2  1  0.824  0.824  0.076  1.0
  Pr  Pr3  1  0.159  0.159  0.419  1.0
  Pr  Pr4  1  0.841  0.841  0.581  1.0
  Pr  Pr5  1  0.176  0.176  0.924  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Mn  Mn7  1  0.837  0.837  0.830  1.0
  Mn  Mn8  1  0.163  0.163  0.170  1.0
  Mn  Mn9  1  0.500  0.500  0.000  1.0
  Mn  Mn10  1  0.831  0.831  0.333  1.0
  Mn  Mn11  1  0.169  0.169  0.667  1.0
  O  O12  1  0.824  0.297  0.586  1.0
  O  O13  1  0.142  0.643  0.931  1.0
  O  O14  1  0.469  0.990  0.266  1.0
  O  O15  1  0.010  0.531  0.734  1.0
  O  O16  1  0.357  0.858  0.069  1.0
  O  O17  1  0.703  0.176  0.414  1.0
  O  O18  1  0.297  0.824  0.586  1.0
  O  O19  1  0.643  0.142  0.931  1.0
  O  O20  1  0.990  0.469  0.266  1.0
  O  O21  1  0.531  0.010  0.734  1.0
  O  O22  1  0.858  0.357  0.069  1.0
  O  O23  1  0.176  0.703  0.414  1.0
  O  O24  1  0.689  0.689  0.441  1.0
  O  O25  1  0.030  0.030  0.777  1.0
  O  O26  1  0.341  0.341  0.093  1.0
  O  O27  1  0.659  0.659  0.907  1.0
  O  O28  1  0.970  0.970  0.223  1.0
  O  O29  1  0.311  0.311  0.559  1.0
[/CIF]
.