The material described by MgV3CoO8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(6) atoms to form MgO5 trigonal bipyramids that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. 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,  a cornercorner with one Co(1)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, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 5-22°. 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,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-28°. 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,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 5-32°. Co(1) is bonded to one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms to form distorted CoO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-32°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(3), and two equivalent V(2) atoms to form OMgV3 trigonal pyramids that share corners with two equivalent O(2)MgV2Co2 trigonal bipyramids, corners with two equivalent O(1)MgV3 trigonal pyramids, and edges with two equivalent O(7)V3Co trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1), one V(1), one V(3), and two equivalent Co(1) atoms to form OMgV2Co2 trigonal bipyramids that share corners with two equivalent O(2)MgV2Co2 trigonal bipyramids, corners with two equivalent O(1)MgV3 trigonal pyramids, and edges with two equivalent O(7)V3Co trigonal pyramids. In the third O site, O(3) is bonded in a T-shaped geometry to one 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 distorted T-shaped geometry to one V(1), one V(2), and one Co(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one V(2), and one Co(1) atom. In the seventh O site, O(7) is bonded to one V(2), two equivalent V(3), and one Co(1) atom to form OV3Co trigonal pyramids that share corners with two equivalent O(7)V3Co trigonal pyramids, edges with two equivalent O(2)MgV2Co2 trigonal bipyramids, and edges with two equivalent O(1)MgV3 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to two equivalent V(1) and one Co(1) atom. is represented by the CIF card [CIF]
data_MgV3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.576
_cell_length_b   6.576
_cell_length_c   6.699
_cell_angle_alpha   73.711
_cell_angle_beta   106.289
_cell_angle_gamma   146.097
_symmetry_Int_Tables_number   1
_cell_volume   154.486
_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  0.183  0.817  0.021  1.0
  V  V1  1  0.404  0.596  0.287  1.0
  V  V2  1  0.594  0.406  0.692  1.0
  V  V3  1  0.298  0.702  0.687  1.0
  Co  Co4  1  0.704  0.296  0.324  1.0
  O  O5  1  0.134  0.866  0.711  1.0
  O  O6  1  0.250  0.750  0.344  1.0
  O  O7  1  0.349  0.651  0.012  1.0
  O  O8  1  0.446  0.554  0.635  1.0
  O  O9  1  0.550  0.450  0.360  1.0
  O  O10  1  0.640  0.360  0.994  1.0
  O  O11  1  0.753  0.247  0.653  1.0
  O  O12  1  0.884  0.116  0.309  1.0
[/CIF]
.
The material described by MgV3CoO8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(6) atoms to form MgO5 trigonal bipyramids that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. 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,  a cornercorner with one Co(1)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, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 5-22°. 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,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-28°. 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,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 5-32°. Co(1) is bonded to one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms to form distorted CoO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-32°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(3), and two equivalent V(2) atoms to form OMgV3 trigonal pyramids that share corners with two equivalent O(2)MgV2Co2 trigonal bipyramids, corners with two equivalent O(1)MgV3 trigonal pyramids, and edges with two equivalent O(7)V3Co trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1), one V(1), one V(3), and two equivalent Co(1) atoms to form OMgV2Co2 trigonal bipyramids that share corners with two equivalent O(2)MgV2Co2 trigonal bipyramids, corners with two equivalent O(1)MgV3 trigonal pyramids, and edges with two equivalent O(7)V3Co trigonal pyramids. In the third O site, O(3) is bonded in a T-shaped geometry to one 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 distorted T-shaped geometry to one V(1), one V(2), and one Co(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one V(2), and one Co(1) atom. In the seventh O site, O(7) is bonded to one V(2), two equivalent V(3), and one Co(1) atom to form OV3Co trigonal pyramids that share corners with two equivalent O(7)V3Co trigonal pyramids, edges with two equivalent O(2)MgV2Co2 trigonal bipyramids, and edges with two equivalent O(1)MgV3 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to two equivalent V(1) and one Co(1) atom. is represented by the CIF card [CIF]
data_MgV3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.576
_cell_length_b   6.576
_cell_length_c   6.699
_cell_angle_alpha   73.711
_cell_angle_beta   106.289
_cell_angle_gamma   146.097
_symmetry_Int_Tables_number   1
_cell_volume   154.486
_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  0.183  0.817  0.021  1.0
  V  V1  1  0.404  0.596  0.287  1.0
  V  V2  1  0.594  0.406  0.692  1.0
  V  V3  1  0.298  0.702  0.687  1.0
  Co  Co4  1  0.704  0.296  0.324  1.0
  O  O5  1  0.134  0.866  0.711  1.0
  O  O6  1  0.250  0.750  0.344  1.0
  O  O7  1  0.349  0.651  0.012  1.0
  O  O8  1  0.446  0.554  0.635  1.0
  O  O9  1  0.550  0.450  0.360  1.0
  O  O10  1  0.640  0.360  0.994  1.0
  O  O11  1  0.753  0.247  0.653  1.0
  O  O12  1  0.884  0.116  0.309  1.0
[/CIF]
.