The material 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 three equivalent Co(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra,  a faceface with one V(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-52°. 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 distorted 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 24-52°. 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 distorted 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 24-51°. 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 Mg(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular 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 rectangular 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 rectangular 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 rectangular 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 square co-planar 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 4-coordinate 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   5.646
_cell_length_b   5.800
_cell_length_c   5.770
_cell_angle_alpha   52.276
_cell_angle_beta   52.445
_cell_angle_gamma   52.445
_symmetry_Int_Tables_number   1
_cell_volume   109.723
_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  0.845  0.839  0.837  1.0
  V  V1  1  0.010  0.022  0.031  1.0
  V  V2  1  0.510  0.488  0.503  1.0
  Co  Co3  1  0.669  0.678  0.676  1.0
  O  O4  1  0.110  0.756  0.421  1.0
  O  O5  1  0.408  0.101  0.765  1.0
  O  O6  1  0.761  0.420  0.095  1.0
  O  O7  1  0.260  0.665  0.851  1.0
  O  O8  1  0.684  0.881  0.237  1.0
  O  O9  1  0.845  0.271  0.634  1.0
[/CIF]
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The material 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 three equivalent Co(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra,  a faceface with one V(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-52°. 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 distorted 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 24-52°. 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 distorted 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 24-51°. 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 Mg(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular 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 rectangular 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 rectangular 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 rectangular 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 square co-planar 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 4-coordinate 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   5.646
_cell_length_b   5.800
_cell_length_c   5.770
_cell_angle_alpha   52.276
_cell_angle_beta   52.445
_cell_angle_gamma   52.445
_symmetry_Int_Tables_number   1
_cell_volume   109.723
_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  0.845  0.839  0.837  1.0
  V  V1  1  0.010  0.022  0.031  1.0
  V  V2  1  0.510  0.488  0.503  1.0
  Co  Co3  1  0.669  0.678  0.676  1.0
  O  O4  1  0.110  0.756  0.421  1.0
  O  O5  1  0.408  0.101  0.765  1.0
  O  O6  1  0.761  0.420  0.095  1.0
  O  O7  1  0.260  0.665  0.851  1.0
  O  O8  1  0.684  0.881  0.237  1.0
  O  O9  1  0.845  0.271  0.634  1.0
[/CIF]
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