The crystal structure described by SrPrFeCoO6 crystallizes in the triclinic P1 space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Pr(1)O12 cuboctahedra, faces with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. Pr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted PrO12 cuboctahedra that share corners with twelve equivalent Pr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-19°. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-19°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Pr(1), one Fe(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Pr(1), one Fe(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Pr(1), one Fe(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Pr(1), one Fe(1), and one Co(1) atom. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Pr(1), one Fe(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OSr2Pr2FeCo octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Pr(1), one Fe(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OSr2Pr2FeCo octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrPrFeCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.418
_cell_length_b   5.422
_cell_length_c   5.480
_cell_angle_alpha   119.631
_cell_angle_beta   119.455
_cell_angle_gamma   90.014
_symmetry_Int_Tables_number   1
_cell_volume   115.357
_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
  Sr  Sr0  1  0.750  0.750  0.500  1.0
  Pr  Pr1  1  0.250  0.253  0.500  1.0
  Fe  Fe2  1  0.500  0.000  0.000  1.0
  Co  Co3  1  0.001  0.500  0.000  1.0
  O  O4  1  0.277  0.702  0.991  1.0
  O  O5  1  0.209  0.221  0.007  1.0
  O  O6  1  0.706  0.284  0.978  1.0
  O  O7  1  0.807  0.795  0.024  1.0
  O  O8  1  0.247  0.735  0.494  1.0
  O  O9  1  0.753  0.260  0.506  1.0
[/CIF]
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The crystal structure described by SrPrFeCoO6 crystallizes in the triclinic P1 space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Pr(1)O12 cuboctahedra, faces with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. Pr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted PrO12 cuboctahedra that share corners with twelve equivalent Pr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-19°. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-19°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Pr(1), one Fe(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Pr(1), one Fe(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Pr(1), one Fe(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Pr(1), one Fe(1), and one Co(1) atom. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Pr(1), one Fe(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OSr2Pr2FeCo octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Pr(1), one Fe(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OSr2Pr2FeCo octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrPrFeCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.418
_cell_length_b   5.422
_cell_length_c   5.480
_cell_angle_alpha   119.631
_cell_angle_beta   119.455
_cell_angle_gamma   90.014
_symmetry_Int_Tables_number   1
_cell_volume   115.357
_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
  Sr  Sr0  1  0.750  0.750  0.500  1.0
  Pr  Pr1  1  0.250  0.253  0.500  1.0
  Fe  Fe2  1  0.500  0.000  0.000  1.0
  Co  Co3  1  0.001  0.500  0.000  1.0
  O  O4  1  0.277  0.702  0.991  1.0
  O  O5  1  0.209  0.221  0.007  1.0
  O  O6  1  0.706  0.284  0.978  1.0
  O  O7  1  0.807  0.795  0.024  1.0
  O  O8  1  0.247  0.735  0.494  1.0
  O  O9  1  0.753  0.260  0.506  1.0
[/CIF]
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