The crystal structure described by Pr2RuCoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. Ru(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-32°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-32°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Pr(1), one Ru(1), and one Co(1) atom. In the second O site, O(2) is bonded to two equivalent Pr(1), one Ru(1), and one Co(1) atom to form distorted corner-sharing OPr2CoRu tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Pr(1), one Ru(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2CoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.506
_cell_length_b   5.823
_cell_length_c   7.861
_cell_angle_alpha   90.000
_cell_angle_beta   89.684
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   252.001
_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
  Pr  Pr0  1  0.018  0.435  0.251  1.0
  Pr  Pr1  1  0.982  0.565  0.749  1.0
  Pr  Pr2  1  0.482  0.935  0.249  1.0
  Pr  Pr3  1  0.518  0.065  0.751  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  Ru  Ru6  1  0.000  0.000  0.500  1.0
  Ru  Ru7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.307  0.209  0.053  1.0
  O  O9  1  0.693  0.791  0.947  1.0
  O  O10  1  0.193  0.709  0.447  1.0
  O  O11  1  0.807  0.291  0.553  1.0
  O  O12  1  0.904  0.027  0.252  1.0
  O  O13  1  0.096  0.973  0.748  1.0
  O  O14  1  0.596  0.527  0.248  1.0
  O  O15  1  0.404  0.473  0.752  1.0
  O  O16  1  0.202  0.697  0.048  1.0
  O  O17  1  0.798  0.303  0.952  1.0
  O  O18  1  0.298  0.197  0.452  1.0
  O  O19  1  0.702  0.803  0.548  1.0
[/CIF]
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The crystal structure described by Pr2RuCoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. Ru(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-32°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-32°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Pr(1), one Ru(1), and one Co(1) atom. In the second O site, O(2) is bonded to two equivalent Pr(1), one Ru(1), and one Co(1) atom to form distorted corner-sharing OPr2CoRu tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Pr(1), one Ru(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2CoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.506
_cell_length_b   5.823
_cell_length_c   7.861
_cell_angle_alpha   90.000
_cell_angle_beta   89.684
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   252.001
_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
  Pr  Pr0  1  0.018  0.435  0.251  1.0
  Pr  Pr1  1  0.982  0.565  0.749  1.0
  Pr  Pr2  1  0.482  0.935  0.249  1.0
  Pr  Pr3  1  0.518  0.065  0.751  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  Ru  Ru6  1  0.000  0.000  0.500  1.0
  Ru  Ru7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.307  0.209  0.053  1.0
  O  O9  1  0.693  0.791  0.947  1.0
  O  O10  1  0.193  0.709  0.447  1.0
  O  O11  1  0.807  0.291  0.553  1.0
  O  O12  1  0.904  0.027  0.252  1.0
  O  O13  1  0.096  0.973  0.748  1.0
  O  O14  1  0.596  0.527  0.248  1.0
  O  O15  1  0.404  0.473  0.752  1.0
  O  O16  1  0.202  0.697  0.048  1.0
  O  O17  1  0.798  0.303  0.952  1.0
  O  O18  1  0.298  0.197  0.452  1.0
  O  O19  1  0.702  0.803  0.548  1.0
[/CIF]
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