The compound described by CaPr2Mn3O9 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), one O(7), and one O(9) atom. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(6), one O(8), and one O(9) atom to form distorted corner-sharing MnO5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(2), one O(7), one O(8), and one O(9) atom to form distorted corner-sharing MnO4 trigonal pyramids. In the third Mn site, Mn(3) is bonded in a square co-planar geometry to one O(2), one O(4), one O(5), and one O(7) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Pr(1), one Pr(2), and one Mn(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Pr(2), one Mn(2), and one Mn(3) atom to form corner-sharing OCaPrMn2 tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Pr(1), one Pr(2), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Pr(1), one Pr(2), and one Mn(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Pr(1), and one Mn(3) atom. In the sixth O site, O(6) is bonded to one Ca(1), one Pr(1), one Pr(2), and one Mn(1) atom to form corner-sharing OCaPr2Mn tetrahedra. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ca(1), one Pr(2), one Mn(2), and one Mn(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(2), one Mn(1), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Pr(1), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaPr2Mn3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.517
_cell_length_b   5.961
_cell_length_c   7.296
_cell_angle_alpha   89.180
_cell_angle_beta   89.441
_cell_angle_gamma   76.407
_symmetry_Int_Tables_number   1
_cell_volume   233.221
_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
  Ca  Ca0  1  0.489  0.591  0.271  1.0
  Pr  Pr1  1  0.768  0.034  0.021  1.0
  Pr  Pr2  1  0.479  0.591  0.796  1.0
  Mn  Mn3  1  0.046  0.474  0.066  1.0
  Mn  Mn4  1  0.973  0.401  0.530  1.0
  Mn  Mn5  1  0.529  0.035  0.530  1.0
  O  O6  1  0.161  0.750  0.022  1.0
  O  O7  1  0.335  0.359  0.533  1.0
  O  O8  1  0.386  0.329  0.057  1.0
  O  O9  1  0.512  0.985  0.776  1.0
  O  O10  1  0.523  0.997  0.283  1.0
  O  O11  1  0.722  0.654  0.036  1.0
  O  O12  1  0.699  0.686  0.525  1.0
  O  O13  1  0.892  0.318  0.774  1.0
  O  O14  1  0.919  0.321  0.278  1.0
[/CIF]
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The compound described by CaPr2Mn3O9 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), one O(7), and one O(9) atom. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(6), one O(8), and one O(9) atom to form distorted corner-sharing MnO5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(2), one O(7), one O(8), and one O(9) atom to form distorted corner-sharing MnO4 trigonal pyramids. In the third Mn site, Mn(3) is bonded in a square co-planar geometry to one O(2), one O(4), one O(5), and one O(7) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Pr(1), one Pr(2), and one Mn(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Pr(2), one Mn(2), and one Mn(3) atom to form corner-sharing OCaPrMn2 tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Pr(1), one Pr(2), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Pr(1), one Pr(2), and one Mn(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Pr(1), and one Mn(3) atom. In the sixth O site, O(6) is bonded to one Ca(1), one Pr(1), one Pr(2), and one Mn(1) atom to form corner-sharing OCaPr2Mn tetrahedra. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ca(1), one Pr(2), one Mn(2), and one Mn(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(2), one Mn(1), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Pr(1), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaPr2Mn3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.517
_cell_length_b   5.961
_cell_length_c   7.296
_cell_angle_alpha   89.180
_cell_angle_beta   89.441
_cell_angle_gamma   76.407
_symmetry_Int_Tables_number   1
_cell_volume   233.221
_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
  Ca  Ca0  1  0.489  0.591  0.271  1.0
  Pr  Pr1  1  0.768  0.034  0.021  1.0
  Pr  Pr2  1  0.479  0.591  0.796  1.0
  Mn  Mn3  1  0.046  0.474  0.066  1.0
  Mn  Mn4  1  0.973  0.401  0.530  1.0
  Mn  Mn5  1  0.529  0.035  0.530  1.0
  O  O6  1  0.161  0.750  0.022  1.0
  O  O7  1  0.335  0.359  0.533  1.0
  O  O8  1  0.386  0.329  0.057  1.0
  O  O9  1  0.512  0.985  0.776  1.0
  O  O10  1  0.523  0.997  0.283  1.0
  O  O11  1  0.722  0.654  0.036  1.0
  O  O12  1  0.699  0.686  0.525  1.0
  O  O13  1  0.892  0.318  0.774  1.0
  O  O14  1  0.919  0.321  0.278  1.0
[/CIF]
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