The compound described by MgV3CoO8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a see-saw-like geometry to one O(7), one O(8), and two equivalent O(3) atoms. 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,  a cornercorner with one Co(1)O5 trigonal bipyramid,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with two equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-27°. 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, corners with two equivalent Co(1)O5 trigonal bipyramids,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. 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, corners with two equivalent Co(1)O5 trigonal bipyramids,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-26°. Co(1) is bonded to one O(5), one O(6), one O(8), and two equivalent O(2) atoms to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-74°. 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 square co-planar 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 linear geometry to one V(2) and one Co(1) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like 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 distorted see-saw-like geometry to one Mg(1), two equivalent V(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_MgV3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.394
_cell_length_b   6.394
_cell_length_c   6.774
_cell_angle_alpha   74.465
_cell_angle_beta   105.535
_cell_angle_gamma   144.913
_symmetry_Int_Tables_number   1
_cell_volume   152.789
_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  0.902  0.098  0.991  1.0
  V  V1  1  0.413  0.587  0.313  1.0
  V  V2  1  0.609  0.391  0.723  1.0
  V  V3  1  0.298  0.702  0.671  1.0
  Co  Co4  1  0.702  0.298  0.281  1.0
  O  O5  1  0.137  0.863  0.689  1.0
  O  O6  1  0.255  0.745  0.373  1.0
  O  O7  1  0.382  0.618  0.994  1.0
  O  O8  1  0.446  0.554  0.630  1.0
  O  O9  1  0.563  0.437  0.379  1.0
  O  O10  1  0.632  0.368  0.983  1.0
  O  O11  1  0.783  0.217  0.705  1.0
  O  O12  1  0.878  0.122  0.268  1.0
[/CIF]
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The compound described by MgV3CoO8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a see-saw-like geometry to one O(7), one O(8), and two equivalent O(3) atoms. 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,  a cornercorner with one Co(1)O5 trigonal bipyramid,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with two equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-27°. 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, corners with two equivalent Co(1)O5 trigonal bipyramids,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. 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, corners with two equivalent Co(1)O5 trigonal bipyramids,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-26°. Co(1) is bonded to one O(5), one O(6), one O(8), and two equivalent O(2) atoms to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-74°. 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 square co-planar 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 linear geometry to one V(2) and one Co(1) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like 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 distorted see-saw-like geometry to one Mg(1), two equivalent V(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_MgV3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.394
_cell_length_b   6.394
_cell_length_c   6.774
_cell_angle_alpha   74.465
_cell_angle_beta   105.535
_cell_angle_gamma   144.913
_symmetry_Int_Tables_number   1
_cell_volume   152.789
_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  0.902  0.098  0.991  1.0
  V  V1  1  0.413  0.587  0.313  1.0
  V  V2  1  0.609  0.391  0.723  1.0
  V  V3  1  0.298  0.702  0.671  1.0
  Co  Co4  1  0.702  0.298  0.281  1.0
  O  O5  1  0.137  0.863  0.689  1.0
  O  O6  1  0.255  0.745  0.373  1.0
  O  O7  1  0.382  0.618  0.994  1.0
  O  O8  1  0.446  0.554  0.630  1.0
  O  O9  1  0.563  0.437  0.379  1.0
  O  O10  1  0.632  0.368  0.983  1.0
  O  O11  1  0.783  0.217  0.705  1.0
  O  O12  1  0.878  0.122  0.268  1.0
[/CIF]
.