The material described by RuCo5O8 is Spinel-like structured and crystallizes in the monoclinic C2/m space group. Ru(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with three equivalent Ru(1)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, and corners with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. In the second Co site, Co(2) 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 Co(1)O4 tetrahedra, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Ru(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ru(1), one Co(1), and two equivalent Co(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ru(1), one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded to one Co(1), one Co(3), and two equivalent Co(2) atoms to form distorted corner-sharing OCo4 trigonal pyramids. is represented by the CIF card [CIF]
data_Co5RuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.790
_cell_length_b   5.725
_cell_length_c   5.725
_cell_angle_alpha   60.080
_cell_angle_beta   61.170
_cell_angle_gamma   61.170
_symmetry_Int_Tables_number   1
_cell_volume   136.588
_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
  Co  Co0  1  0.120  0.126  0.126  1.0
  Co  Co1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.500  0.000  0.500  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.880  0.874  0.874  1.0
  Ru  Ru5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.279  0.253  0.253  1.0
  O  O7  1  0.278  0.714  0.250  1.0
  O  O8  1  0.278  0.250  0.714  1.0
  O  O9  1  0.712  0.264  0.264  1.0
  O  O10  1  0.288  0.736  0.736  1.0
  O  O11  1  0.722  0.750  0.286  1.0
  O  O12  1  0.722  0.286  0.750  1.0
  O  O13  1  0.721  0.747  0.747  1.0
[/CIF]
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The material described by RuCo5O8 is Spinel-like structured and crystallizes in the monoclinic C2/m space group. Ru(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Co(3)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with three equivalent Ru(1)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, and corners with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. In the second Co site, Co(2) 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 Co(1)O4 tetrahedra, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Ru(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ru(1), one Co(1), and two equivalent Co(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ru(1), one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded to one Co(1), one Co(3), and two equivalent Co(2) atoms to form distorted corner-sharing OCo4 trigonal pyramids. is represented by the CIF card [CIF]
data_Co5RuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.790
_cell_length_b   5.725
_cell_length_c   5.725
_cell_angle_alpha   60.080
_cell_angle_beta   61.170
_cell_angle_gamma   61.170
_symmetry_Int_Tables_number   1
_cell_volume   136.588
_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
  Co  Co0  1  0.120  0.126  0.126  1.0
  Co  Co1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.500  0.000  0.500  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.880  0.874  0.874  1.0
  Ru  Ru5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.279  0.253  0.253  1.0
  O  O7  1  0.278  0.714  0.250  1.0
  O  O8  1  0.278  0.250  0.714  1.0
  O  O9  1  0.712  0.264  0.264  1.0
  O  O10  1  0.288  0.736  0.736  1.0
  O  O11  1  0.722  0.750  0.286  1.0
  O  O12  1  0.722  0.286  0.750  1.0
  O  O13  1  0.721  0.747  0.747  1.0
[/CIF]
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