The structure described by MgV2CoO6 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with six equivalent Co(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent V(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-62°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with six equivalent V(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-63°. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO6 octahedra that share corners with three equivalent V(2)O6 octahedra, corners with six equivalent Mg(1)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.449
_cell_length_b   5.401
_cell_length_c   5.457
_cell_angle_alpha   55.865
_cell_angle_beta   56.180
_cell_angle_gamma   55.972
_symmetry_Int_Tables_number   1
_cell_volume   103.057
_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  0.200  0.205  0.212  1.0
  V  V1  1  0.996  0.991  0.001  1.0
  V  V2  1  0.500  0.491  0.495  1.0
  Co  Co3  1  0.710  0.706  0.702  1.0
  O  O4  1  0.124  0.780  0.377  1.0
  O  O5  1  0.387  0.138  0.764  1.0
  O  O6  1  0.780  0.379  0.119  1.0
  O  O7  1  0.258  0.639  0.888  1.0
  O  O8  1  0.617  0.881  0.281  1.0
  O  O9  1  0.880  0.279  0.623  1.0
[/CIF]
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The structure described by MgV2CoO6 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with six equivalent Co(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra, and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent V(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-62°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with six equivalent V(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-63°. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO6 octahedra that share corners with three equivalent V(2)O6 octahedra, corners with six equivalent Mg(1)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), one V(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.449
_cell_length_b   5.401
_cell_length_c   5.457
_cell_angle_alpha   55.865
_cell_angle_beta   56.180
_cell_angle_gamma   55.972
_symmetry_Int_Tables_number   1
_cell_volume   103.057
_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  0.200  0.205  0.212  1.0
  V  V1  1  0.996  0.991  0.001  1.0
  V  V2  1  0.500  0.491  0.495  1.0
  Co  Co3  1  0.710  0.706  0.702  1.0
  O  O4  1  0.124  0.780  0.377  1.0
  O  O5  1  0.387  0.138  0.764  1.0
  O  O6  1  0.780  0.379  0.119  1.0
  O  O7  1  0.258  0.639  0.888  1.0
  O  O8  1  0.617  0.881  0.281  1.0
  O  O9  1  0.880  0.279  0.623  1.0
[/CIF]
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