The crystal structure described by MgFe4(CoO6)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to one O(7), one O(8), and two equivalent O(3) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), and two equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(2), and two equivalent O(3) atoms. In the third Fe site, Fe(3) is bonded to one O(4), one O(5), one O(7), one O(9), and two equivalent O(1) atoms to form FeO6 octahedra that share  an edgeedge with one Fe(4)O6 octahedra and  an edgeedge with one Co(2)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(4), one O(6), one O(8), one O(9), and two equivalent O(2) atoms to form FeO6 octahedra that share  an edgeedge with one Fe(3)O6 octahedra and  an edgeedge with one Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one O(9), two equivalent O(1), and two equivalent O(2) atoms. In the second Co site, Co(2) is bonded to one O(5), one O(6), one O(7), one O(8), and two equivalent O(3) atoms to form CoO6 octahedra that share  an edgeedge with one Fe(3)O6 octahedra and  an edgeedge with one Fe(4)O6 octahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Co(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Co(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Co(2) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Fe(3) and one Fe(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(3), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(4), and one Co(2) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Mg(1), one Fe(3), and one Co(2) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Mg(1), one Fe(4), and one Co(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(4), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe4(CoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.109
_cell_length_b   5.109
_cell_length_c   8.651
_cell_angle_alpha   89.748
_cell_angle_beta   89.748
_cell_angle_gamma   74.822
_symmetry_Int_Tables_number   1
_cell_volume   217.931
_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
  Mg  Mg0  1  0.797  0.797  0.499  1.0
  Fe  Fe1  1  0.088  0.088  0.319  1.0
  Fe  Fe2  1  0.088  0.088  0.680  1.0
  Fe  Fe3  1  0.501  0.501  0.165  1.0
  Fe  Fe4  1  0.502  0.502  0.835  1.0
  Co  Co5  1  0.925  0.925  0.000  1.0
  Co  Co6  1  0.470  0.470  0.501  1.0
  O  O7  1  0.185  0.807  0.160  1.0
  O  O8  1  0.186  0.808  0.840  1.0
  O  O9  1  0.185  0.804  0.500  1.0
  O  O10  1  0.360  0.360  0.000  1.0
  O  O11  1  0.317  0.317  0.339  1.0
  O  O12  1  0.318  0.318  0.662  1.0
  O  O13  1  0.631  0.631  0.343  1.0
  O  O14  1  0.633  0.633  0.658  1.0
  O  O15  1  0.701  0.701  0.000  1.0
  O  O16  1  0.804  0.185  0.500  1.0
  O  O17  1  0.807  0.185  0.160  1.0
  O  O18  1  0.808  0.186  0.840  1.0
[/CIF]
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The crystal structure described by MgFe4(CoO6)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to one O(7), one O(8), and two equivalent O(3) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), and two equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(2), and two equivalent O(3) atoms. In the third Fe site, Fe(3) is bonded to one O(4), one O(5), one O(7), one O(9), and two equivalent O(1) atoms to form FeO6 octahedra that share  an edgeedge with one Fe(4)O6 octahedra and  an edgeedge with one Co(2)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(4), one O(6), one O(8), one O(9), and two equivalent O(2) atoms to form FeO6 octahedra that share  an edgeedge with one Fe(3)O6 octahedra and  an edgeedge with one Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one O(9), two equivalent O(1), and two equivalent O(2) atoms. In the second Co site, Co(2) is bonded to one O(5), one O(6), one O(7), one O(8), and two equivalent O(3) atoms to form CoO6 octahedra that share  an edgeedge with one Fe(3)O6 octahedra and  an edgeedge with one Fe(4)O6 octahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Co(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one Co(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Co(2) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Fe(3) and one Fe(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(3), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(4), and one Co(2) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Mg(1), one Fe(3), and one Co(2) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Mg(1), one Fe(4), and one Co(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(4), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe4(CoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.109
_cell_length_b   5.109
_cell_length_c   8.651
_cell_angle_alpha   89.748
_cell_angle_beta   89.748
_cell_angle_gamma   74.822
_symmetry_Int_Tables_number   1
_cell_volume   217.931
_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
  Mg  Mg0  1  0.797  0.797  0.499  1.0
  Fe  Fe1  1  0.088  0.088  0.319  1.0
  Fe  Fe2  1  0.088  0.088  0.680  1.0
  Fe  Fe3  1  0.501  0.501  0.165  1.0
  Fe  Fe4  1  0.502  0.502  0.835  1.0
  Co  Co5  1  0.925  0.925  0.000  1.0
  Co  Co6  1  0.470  0.470  0.501  1.0
  O  O7  1  0.185  0.807  0.160  1.0
  O  O8  1  0.186  0.808  0.840  1.0
  O  O9  1  0.185  0.804  0.500  1.0
  O  O10  1  0.360  0.360  0.000  1.0
  O  O11  1  0.317  0.317  0.339  1.0
  O  O12  1  0.318  0.318  0.662  1.0
  O  O13  1  0.631  0.631  0.343  1.0
  O  O14  1  0.633  0.633  0.658  1.0
  O  O15  1  0.701  0.701  0.000  1.0
  O  O16  1  0.804  0.185  0.500  1.0
  O  O17  1  0.807  0.185  0.160  1.0
  O  O18  1  0.808  0.186  0.840  1.0
[/CIF]
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