The material described by MgV4FeCoO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(4), one O(7), and one O(8) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with two equivalent V(1)O5 trigonal bipyramids,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 67°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(2), one O(4), and one O(6) atom to form VO5 trigonal bipyramids that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-61°. In the third V site, V(3) is bonded to one O(10), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent V(4)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 12-68°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent V(3)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  a cornercorner with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-61°. Fe(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, edges with two equivalent Co(1)O6 octahedra,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. Co(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form CoO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with two equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one Fe(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OMgVFeCo trigonal pyramids. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Co(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one Fe(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(3) and one Co(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the tenth O site, O(10) is bonded to one Mg(1), one V(3), one Fe(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OMgVFeCo tetrahedra. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one V(4), one Fe(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4FeCoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.879
_cell_length_b   6.859
_cell_length_c   5.776
_cell_angle_alpha   74.580
_cell_angle_beta   107.784
_cell_angle_gamma   100.352
_symmetry_Int_Tables_number   1
_cell_volume   248.717
_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  0.705  0.739  0.695  1.0
  V  V1  1  0.157  0.593  0.707  1.0
  V  V2  1  0.369  0.786  0.243  1.0
  V  V3  1  0.617  0.201  0.748  1.0
  V  V4  1  0.819  0.394  0.253  1.0
  Fe  Fe5  1  0.925  0.923  0.251  1.0
  Co  Co6  1  0.073  0.073  0.756  1.0
  O  O7  1  1.000  0.803  0.664  1.0
  O  O8  1  0.068  0.344  0.793  1.0
  O  O9  1  0.201  0.970  0.140  1.0
  O  O10  1  0.389  0.664  0.571  1.0
  O  O11  1  0.368  0.127  0.728  1.0
  O  O12  1  0.323  0.634  0.034  1.0
  O  O13  1  0.708  0.434  0.920  1.0
  O  O14  1  0.628  0.880  0.302  1.0
  O  O15  1  0.640  0.350  0.425  1.0
  O  O16  1  0.781  0.993  0.844  1.0
  O  O17  1  0.980  0.612  0.317  1.0
  O  O18  1  0.964  0.194  0.358  1.0
[/CIF]
.
The material described by MgV4FeCoO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(4), one O(7), and one O(8) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with two equivalent V(1)O5 trigonal bipyramids,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 67°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(2), one O(4), and one O(6) atom to form VO5 trigonal bipyramids that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-61°. In the third V site, V(3) is bonded to one O(10), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent V(4)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 12-68°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent V(3)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  a cornercorner with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-61°. Fe(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, edges with two equivalent Co(1)O6 octahedra,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. Co(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form CoO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with two equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one Fe(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OMgVFeCo trigonal pyramids. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Co(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one Fe(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(3) and one Co(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the tenth O site, O(10) is bonded to one Mg(1), one V(3), one Fe(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OMgVFeCo tetrahedra. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one V(4), one Fe(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4FeCoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.879
_cell_length_b   6.859
_cell_length_c   5.776
_cell_angle_alpha   74.580
_cell_angle_beta   107.784
_cell_angle_gamma   100.352
_symmetry_Int_Tables_number   1
_cell_volume   248.717
_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  0.705  0.739  0.695  1.0
  V  V1  1  0.157  0.593  0.707  1.0
  V  V2  1  0.369  0.786  0.243  1.0
  V  V3  1  0.617  0.201  0.748  1.0
  V  V4  1  0.819  0.394  0.253  1.0
  Fe  Fe5  1  0.925  0.923  0.251  1.0
  Co  Co6  1  0.073  0.073  0.756  1.0
  O  O7  1  1.000  0.803  0.664  1.0
  O  O8  1  0.068  0.344  0.793  1.0
  O  O9  1  0.201  0.970  0.140  1.0
  O  O10  1  0.389  0.664  0.571  1.0
  O  O11  1  0.368  0.127  0.728  1.0
  O  O12  1  0.323  0.634  0.034  1.0
  O  O13  1  0.708  0.434  0.920  1.0
  O  O14  1  0.628  0.880  0.302  1.0
  O  O15  1  0.640  0.350  0.425  1.0
  O  O16  1  0.781  0.993  0.844  1.0
  O  O17  1  0.980  0.612  0.317  1.0
  O  O18  1  0.964  0.194  0.358  1.0
[/CIF]
.