The material structure described by SrPr2Mn3O9 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/c space group. Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(3) atoms. Pr(1) is bonded in a 12-coordinate geometry to one O(5), two equivalent O(3), three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 15-25°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 19-25°. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), three equivalent Pr(1), one Mn(1), and one Mn(2) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Mn(1) atoms. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), three equivalent Pr(1), one Mn(1), and one Mn(2) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to one Sr(1), three equivalent Pr(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrPr2Mn3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.567
_cell_length_b   5.567
_cell_length_c   13.446
_cell_angle_alpha   89.692
_cell_angle_beta   89.692
_cell_angle_gamma   60.410
_symmetry_Int_Tables_number   1
_cell_volume   362.397
_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
  Sr  Sr0  1  0.507  0.493  0.750  1.0
  Sr  Sr1  1  0.493  0.507  0.250  1.0
  Pr  Pr2  1  0.172  0.160  0.416  1.0
  Pr  Pr3  1  0.840  0.828  0.084  1.0
  Pr  Pr4  1  0.828  0.840  0.584  1.0
  Pr  Pr5  1  0.160  0.172  0.916  1.0
  Mn  Mn6  1  0.165  0.169  0.167  1.0
  Mn  Mn7  1  0.835  0.831  0.833  1.0
  Mn  Mn8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.831  0.835  0.333  1.0
  Mn  Mn10  1  0.500  0.500  0.000  1.0
  Mn  Mn11  1  0.169  0.165  0.667  1.0
  O  O12  1  0.147  0.616  0.928  1.0
  O  O13  1  0.825  0.279  0.587  1.0
  O  O14  1  0.477  0.978  0.259  1.0
  O  O15  1  0.022  0.523  0.241  1.0
  O  O16  1  0.721  0.175  0.913  1.0
  O  O17  1  0.384  0.853  0.572  1.0
  O  O18  1  0.175  0.721  0.413  1.0
  O  O19  1  0.853  0.384  0.072  1.0
  O  O20  1  0.523  0.022  0.741  1.0
  O  O21  1  0.279  0.825  0.087  1.0
  O  O22  1  0.978  0.477  0.759  1.0
  O  O23  1  0.616  0.147  0.428  1.0
  O  O24  1  0.593  0.744  0.920  1.0
  O  O25  1  0.256  0.407  0.580  1.0
  O  O26  1  0.942  0.058  0.250  1.0
  O  O27  1  0.407  0.256  0.080  1.0
  O  O28  1  0.058  0.942  0.750  1.0
  O  O29  1  0.744  0.593  0.420  1.0
[/CIF]
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The material structure described by SrPr2Mn3O9 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/c space group. Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(3) atoms. Pr(1) is bonded in a 12-coordinate geometry to one O(5), two equivalent O(3), three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 15-25°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 19-25°. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), three equivalent Pr(1), one Mn(1), and one Mn(2) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Mn(1) atoms. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), three equivalent Pr(1), one Mn(1), and one Mn(2) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to one Sr(1), three equivalent Pr(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrPr2Mn3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.567
_cell_length_b   5.567
_cell_length_c   13.446
_cell_angle_alpha   89.692
_cell_angle_beta   89.692
_cell_angle_gamma   60.410
_symmetry_Int_Tables_number   1
_cell_volume   362.397
_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
  Sr  Sr0  1  0.507  0.493  0.750  1.0
  Sr  Sr1  1  0.493  0.507  0.250  1.0
  Pr  Pr2  1  0.172  0.160  0.416  1.0
  Pr  Pr3  1  0.840  0.828  0.084  1.0
  Pr  Pr4  1  0.828  0.840  0.584  1.0
  Pr  Pr5  1  0.160  0.172  0.916  1.0
  Mn  Mn6  1  0.165  0.169  0.167  1.0
  Mn  Mn7  1  0.835  0.831  0.833  1.0
  Mn  Mn8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.831  0.835  0.333  1.0
  Mn  Mn10  1  0.500  0.500  0.000  1.0
  Mn  Mn11  1  0.169  0.165  0.667  1.0
  O  O12  1  0.147  0.616  0.928  1.0
  O  O13  1  0.825  0.279  0.587  1.0
  O  O14  1  0.477  0.978  0.259  1.0
  O  O15  1  0.022  0.523  0.241  1.0
  O  O16  1  0.721  0.175  0.913  1.0
  O  O17  1  0.384  0.853  0.572  1.0
  O  O18  1  0.175  0.721  0.413  1.0
  O  O19  1  0.853  0.384  0.072  1.0
  O  O20  1  0.523  0.022  0.741  1.0
  O  O21  1  0.279  0.825  0.087  1.0
  O  O22  1  0.978  0.477  0.759  1.0
  O  O23  1  0.616  0.147  0.428  1.0
  O  O24  1  0.593  0.744  0.920  1.0
  O  O25  1  0.256  0.407  0.580  1.0
  O  O26  1  0.942  0.058  0.250  1.0
  O  O27  1  0.407  0.256  0.080  1.0
  O  O28  1  0.058  0.942  0.750  1.0
  O  O29  1  0.744  0.593  0.420  1.0
[/CIF]
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