The compound described by MgFe4(CoO6)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-46°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(5), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form CoO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. In the second Co site, Co(2) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CoO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(3), and one Co(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Fe(4), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Co(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(3), one Fe(4), and one Co(1) atom to form a mixture of edge and corner-sharing OMgFe2Co trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Co(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Co(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Co(2) atom. In the ninth O site, O(9) is bonded to one Mg(1), one Fe(3), one Fe(4), and one Co(1) atom to form a mixture of edge and corner-sharing OMgFe2Co trigonal pyramids. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Co(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(3), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Fe(4), and one Co(1) atom. is represented by the CIF card [CIF]
data_MgFe4(CoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.835
_cell_length_b   4.758
_cell_length_c   8.726
_cell_angle_alpha   89.569
_cell_angle_beta   90.302
_cell_angle_gamma   92.032
_symmetry_Int_Tables_number   1
_cell_volume   200.607
_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  0.005  0.501  0.004  1.0
  Fe  Fe1  1  1.000  0.001  0.337  1.0
  Fe  Fe2  1  1.000  0.996  0.671  1.0
  Fe  Fe3  1  0.513  0.484  0.180  1.0
  Fe  Fe4  1  0.500  0.500  0.829  1.0
  Co  Co5  1  1.000  0.000  0.004  1.0
  Co  Co6  1  0.471  0.527  0.505  1.0
  O  O7  1  0.157  0.790  0.160  1.0
  O  O8  1  0.161  0.780  0.844  1.0
  O  O9  1  0.191  0.793  0.506  1.0
  O  O10  1  0.331  0.280  0.004  1.0
  O  O11  1  0.320  0.306  0.348  1.0
  O  O12  1  0.320  0.306  0.664  1.0
  O  O13  1  0.674  0.700  0.347  1.0
  O  O14  1  0.675  0.700  0.663  1.0
  O  O15  1  0.671  0.715  0.003  1.0
  O  O16  1  0.828  0.186  0.508  1.0
  O  O17  1  0.841  0.223  0.163  1.0
  O  O18  1  0.841  0.212  0.847  1.0
[/CIF]
.
The compound described by MgFe4(CoO6)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-46°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(5), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form CoO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. In the second Co site, Co(2) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CoO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(3), and one Co(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Fe(4), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Co(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(3), one Fe(4), and one Co(1) atom to form a mixture of edge and corner-sharing OMgFe2Co trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Co(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one Co(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Co(2) atom. In the ninth O site, O(9) is bonded to one Mg(1), one Fe(3), one Fe(4), and one Co(1) atom to form a mixture of edge and corner-sharing OMgFe2Co trigonal pyramids. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Co(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(3), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(2), one Fe(4), and one Co(1) atom. is represented by the CIF card [CIF]
data_MgFe4(CoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.835
_cell_length_b   4.758
_cell_length_c   8.726
_cell_angle_alpha   89.569
_cell_angle_beta   90.302
_cell_angle_gamma   92.032
_symmetry_Int_Tables_number   1
_cell_volume   200.607
_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  0.005  0.501  0.004  1.0
  Fe  Fe1  1  1.000  0.001  0.337  1.0
  Fe  Fe2  1  1.000  0.996  0.671  1.0
  Fe  Fe3  1  0.513  0.484  0.180  1.0
  Fe  Fe4  1  0.500  0.500  0.829  1.0
  Co  Co5  1  1.000  0.000  0.004  1.0
  Co  Co6  1  0.471  0.527  0.505  1.0
  O  O7  1  0.157  0.790  0.160  1.0
  O  O8  1  0.161  0.780  0.844  1.0
  O  O9  1  0.191  0.793  0.506  1.0
  O  O10  1  0.331  0.280  0.004  1.0
  O  O11  1  0.320  0.306  0.348  1.0
  O  O12  1  0.320  0.306  0.664  1.0
  O  O13  1  0.674  0.700  0.347  1.0
  O  O14  1  0.675  0.700  0.663  1.0
  O  O15  1  0.671  0.715  0.003  1.0
  O  O16  1  0.828  0.186  0.508  1.0
  O  O17  1  0.841  0.223  0.163  1.0
  O  O18  1  0.841  0.212  0.847  1.0
[/CIF]
.