The material described by FeCo3O8 is Rutile-derived structured and crystallizes in the hexagonal P6_3mc space group. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. Co(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_FeCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.613
_cell_length_b   5.613
_cell_length_c   8.906
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   243.049
_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
  Fe  Fe0  1  0.333  0.667  0.496  1.0
  Fe  Fe1  1  0.667  0.333  0.996  1.0
  Co  Co2  1  0.168  0.832  0.212  1.0
  Co  Co3  1  0.168  0.336  0.212  1.0
  Co  Co4  1  0.664  0.832  0.212  1.0
  Co  Co5  1  0.336  0.168  0.712  1.0
  Co  Co6  1  0.832  0.664  0.712  1.0
  Co  Co7  1  0.832  0.168  0.712  1.0
  O  O8  1  0.160  0.840  0.606  1.0
  O  O9  1  0.039  0.520  0.330  1.0
  O  O10  1  0.333  0.667  0.100  1.0
  O  O11  1  0.000  0.000  0.319  1.0
  O  O12  1  0.000  0.000  0.819  1.0
  O  O13  1  0.160  0.320  0.606  1.0
  O  O14  1  0.480  0.961  0.330  1.0
  O  O15  1  0.480  0.520  0.330  1.0
  O  O16  1  0.320  0.160  0.106  1.0
  O  O17  1  0.680  0.840  0.606  1.0
  O  O18  1  0.520  0.480  0.830  1.0
  O  O19  1  0.520  0.039  0.830  1.0
  O  O20  1  0.667  0.333  0.600  1.0
  O  O21  1  0.840  0.680  0.106  1.0
  O  O22  1  0.961  0.480  0.830  1.0
  O  O23  1  0.840  0.160  0.106  1.0
[/CIF]
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The material described by FeCo3O8 is Rutile-derived structured and crystallizes in the hexagonal P6_3mc space group. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. Co(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_FeCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.613
_cell_length_b   5.613
_cell_length_c   8.906
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   243.049
_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
  Fe  Fe0  1  0.333  0.667  0.496  1.0
  Fe  Fe1  1  0.667  0.333  0.996  1.0
  Co  Co2  1  0.168  0.832  0.212  1.0
  Co  Co3  1  0.168  0.336  0.212  1.0
  Co  Co4  1  0.664  0.832  0.212  1.0
  Co  Co5  1  0.336  0.168  0.712  1.0
  Co  Co6  1  0.832  0.664  0.712  1.0
  Co  Co7  1  0.832  0.168  0.712  1.0
  O  O8  1  0.160  0.840  0.606  1.0
  O  O9  1  0.039  0.520  0.330  1.0
  O  O10  1  0.333  0.667  0.100  1.0
  O  O11  1  0.000  0.000  0.319  1.0
  O  O12  1  0.000  0.000  0.819  1.0
  O  O13  1  0.160  0.320  0.606  1.0
  O  O14  1  0.480  0.961  0.330  1.0
  O  O15  1  0.480  0.520  0.330  1.0
  O  O16  1  0.320  0.160  0.106  1.0
  O  O17  1  0.680  0.840  0.606  1.0
  O  O18  1  0.520  0.480  0.830  1.0
  O  O19  1  0.520  0.039  0.830  1.0
  O  O20  1  0.667  0.333  0.600  1.0
  O  O21  1  0.840  0.680  0.106  1.0
  O  O22  1  0.961  0.480  0.830  1.0
  O  O23  1  0.840  0.160  0.106  1.0
[/CIF]
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