The crystal structure described by MgV3CoO8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(6), one O(7), one O(8), and two equivalent O(3) atoms to form MgO5 trigonal bipyramids that share corners with two equivalent Mg(1)O5 trigonal bipyramids,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-26°. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 18-26°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-24°. Co(1) is bonded in a 5-coordinate geometry to one O(5), one O(6), one O(8), and two equivalent O(2) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(2) atoms. In the second O site, O(2) is bonded to one V(1), one V(3), and two equivalent Co(1) atoms to form corner-sharing OV2Co2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one Co(1) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one Co(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Mg(1), one V(2), and two equivalent V(3) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent V(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.505
_cell_length_b   6.505
_cell_length_c   6.877
_cell_angle_alpha   73.388
_cell_angle_beta   106.612
_cell_angle_gamma   145.691
_symmetry_Int_Tables_number   1
_cell_volume   156.523
_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  0.819  0.181  0.994  1.0
  V  V1  1  0.405  0.595  0.308  1.0
  V  V2  1  0.595  0.405  0.707  1.0
  V  V3  1  0.288  0.712  0.663  1.0
  Co  Co4  1  0.691  0.309  0.286  1.0
  O  O5  1  0.123  0.877  0.678  1.0
  O  O6  1  0.248  0.752  0.367  1.0
  O  O7  1  0.356  0.644  0.006  1.0
  O  O8  1  0.447  0.553  0.641  1.0
  O  O9  1  0.554  0.446  0.376  1.0
  O  O10  1  0.645  0.355  0.972  1.0
  O  O11  1  0.763  0.237  0.691  1.0
  O  O12  1  0.868  0.132  0.290  1.0
[/CIF]
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The crystal structure described by MgV3CoO8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(6), one O(7), one O(8), and two equivalent O(3) atoms to form MgO5 trigonal bipyramids that share corners with two equivalent Mg(1)O5 trigonal bipyramids,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-26°. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 18-26°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-24°. Co(1) is bonded in a 5-coordinate geometry to one O(5), one O(6), one O(8), and two equivalent O(2) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(2) atoms. In the second O site, O(2) is bonded to one V(1), one V(3), and two equivalent Co(1) atoms to form corner-sharing OV2Co2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one Co(1) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one Co(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Mg(1), one V(2), and two equivalent V(3) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent V(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.505
_cell_length_b   6.505
_cell_length_c   6.877
_cell_angle_alpha   73.388
_cell_angle_beta   106.612
_cell_angle_gamma   145.691
_symmetry_Int_Tables_number   1
_cell_volume   156.523
_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  0.819  0.181  0.994  1.0
  V  V1  1  0.405  0.595  0.308  1.0
  V  V2  1  0.595  0.405  0.707  1.0
  V  V3  1  0.288  0.712  0.663  1.0
  Co  Co4  1  0.691  0.309  0.286  1.0
  O  O5  1  0.123  0.877  0.678  1.0
  O  O6  1  0.248  0.752  0.367  1.0
  O  O7  1  0.356  0.644  0.006  1.0
  O  O8  1  0.447  0.553  0.641  1.0
  O  O9  1  0.554  0.446  0.376  1.0
  O  O10  1  0.645  0.355  0.972  1.0
  O  O11  1  0.763  0.237  0.691  1.0
  O  O12  1  0.868  0.132  0.290  1.0
[/CIF]
.