The crystal structure described by BaCo2V2O8 crystallizes in the tetragonal I4_1/acd space group. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with four equivalent Co(1)O6 octahedra, corners with four equivalent V(1)O4 tetrahedra, edges with four equivalent V(1)O4 tetrahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Co(1)O6 octahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 45-56°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one V(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaV2(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.913
_cell_length_b   9.913
_cell_length_c   9.913
_cell_angle_alpha   100.620
_cell_angle_beta   100.620
_cell_angle_gamma   129.155
_symmetry_Int_Tables_number   1
_cell_volume   682.170
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.250  0.750  0.500  1.0
  Ba  Ba2  1  0.500  0.500  0.000  1.0
  Ba  Ba3  1  0.750  0.250  0.500  1.0
  V  V4  1  0.375  0.204  0.329  1.0
  V  V5  1  0.954  0.625  0.829  1.0
  V  V6  1  0.875  0.546  0.171  1.0
  V  V7  1  0.375  0.704  0.829  1.0
  V  V8  1  0.796  0.125  0.171  1.0
  V  V9  1  0.296  0.125  0.671  1.0
  V  V10  1  0.875  0.046  0.671  1.0
  V  V11  1  0.454  0.625  0.329  1.0
  Co  Co12  1  0.418  0.082  0.000  1.0
  Co  Co13  1  0.582  0.582  0.663  1.0
  Co  Co14  1  0.668  0.168  0.837  1.0
  Co  Co15  1  0.918  0.918  0.337  1.0
  Co  Co16  1  0.832  0.668  0.500  1.0
  Co  Co17  1  0.082  0.418  0.000  1.0
  Co  Co18  1  0.332  0.832  0.163  1.0
  Co  Co19  1  0.168  0.332  0.500  1.0
  O  O20  1  0.782  0.941  0.165  1.0
  O  O21  1  0.776  0.617  0.835  1.0
  O  O22  1  0.191  0.526  0.659  1.0
  O  O23  1  0.867  0.532  0.341  1.0
  O  O24  1  0.968  0.633  0.659  1.0
  O  O25  1  0.883  0.724  0.165  1.0
  O  O26  1  0.559  0.718  0.835  1.0
  O  O27  1  0.974  0.309  0.341  1.0
  O  O28  1  0.468  0.809  0.335  1.0
  O  O29  1  0.474  0.133  0.665  1.0
  O  O30  1  0.059  0.224  0.841  1.0
  O  O31  1  0.383  0.218  0.159  1.0
  O  O32  1  0.282  0.117  0.841  1.0
  O  O33  1  0.367  0.026  0.335  1.0
  O  O34  1  0.691  0.032  0.665  1.0
  O  O35  1  0.276  0.441  0.159  1.0
  O  O36  1  0.083  0.918  0.519  1.0
  O  O37  1  0.398  0.563  0.481  1.0
  O  O38  1  0.168  0.148  0.335  1.0
  O  O39  1  0.813  0.833  0.665  1.0
  O  O40  1  0.898  0.418  0.835  1.0
  O  O41  1  0.668  0.333  0.019  1.0
  O  O42  1  0.313  0.648  0.981  1.0
  O  O43  1  0.583  0.063  0.165  1.0
  O  O44  1  0.437  0.917  0.835  1.0
  O  O45  1  0.082  0.602  0.165  1.0
  O  O46  1  0.852  0.187  0.019  1.0
  O  O47  1  0.167  0.832  0.981  1.0
  O  O48  1  0.352  0.332  0.665  1.0
  O  O49  1  0.582  0.417  0.481  1.0
  O  O50  1  0.937  0.102  0.519  1.0
  O  O51  1  0.667  0.687  0.335  1.0
[/CIF]
.
The crystal structure described by BaCo2V2O8 crystallizes in the tetragonal I4_1/acd space group. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with four equivalent Co(1)O6 octahedra, corners with four equivalent V(1)O4 tetrahedra, edges with four equivalent V(1)O4 tetrahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Co(1)O6 octahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 45-56°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one V(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaV2(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.913
_cell_length_b   9.913
_cell_length_c   9.913
_cell_angle_alpha   100.620
_cell_angle_beta   100.620
_cell_angle_gamma   129.155
_symmetry_Int_Tables_number   1
_cell_volume   682.170
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.250  0.750  0.500  1.0
  Ba  Ba2  1  0.500  0.500  0.000  1.0
  Ba  Ba3  1  0.750  0.250  0.500  1.0
  V  V4  1  0.375  0.204  0.329  1.0
  V  V5  1  0.954  0.625  0.829  1.0
  V  V6  1  0.875  0.546  0.171  1.0
  V  V7  1  0.375  0.704  0.829  1.0
  V  V8  1  0.796  0.125  0.171  1.0
  V  V9  1  0.296  0.125  0.671  1.0
  V  V10  1  0.875  0.046  0.671  1.0
  V  V11  1  0.454  0.625  0.329  1.0
  Co  Co12  1  0.418  0.082  0.000  1.0
  Co  Co13  1  0.582  0.582  0.663  1.0
  Co  Co14  1  0.668  0.168  0.837  1.0
  Co  Co15  1  0.918  0.918  0.337  1.0
  Co  Co16  1  0.832  0.668  0.500  1.0
  Co  Co17  1  0.082  0.418  0.000  1.0
  Co  Co18  1  0.332  0.832  0.163  1.0
  Co  Co19  1  0.168  0.332  0.500  1.0
  O  O20  1  0.782  0.941  0.165  1.0
  O  O21  1  0.776  0.617  0.835  1.0
  O  O22  1  0.191  0.526  0.659  1.0
  O  O23  1  0.867  0.532  0.341  1.0
  O  O24  1  0.968  0.633  0.659  1.0
  O  O25  1  0.883  0.724  0.165  1.0
  O  O26  1  0.559  0.718  0.835  1.0
  O  O27  1  0.974  0.309  0.341  1.0
  O  O28  1  0.468  0.809  0.335  1.0
  O  O29  1  0.474  0.133  0.665  1.0
  O  O30  1  0.059  0.224  0.841  1.0
  O  O31  1  0.383  0.218  0.159  1.0
  O  O32  1  0.282  0.117  0.841  1.0
  O  O33  1  0.367  0.026  0.335  1.0
  O  O34  1  0.691  0.032  0.665  1.0
  O  O35  1  0.276  0.441  0.159  1.0
  O  O36  1  0.083  0.918  0.519  1.0
  O  O37  1  0.398  0.563  0.481  1.0
  O  O38  1  0.168  0.148  0.335  1.0
  O  O39  1  0.813  0.833  0.665  1.0
  O  O40  1  0.898  0.418  0.835  1.0
  O  O41  1  0.668  0.333  0.019  1.0
  O  O42  1  0.313  0.648  0.981  1.0
  O  O43  1  0.583  0.063  0.165  1.0
  O  O44  1  0.437  0.917  0.835  1.0
  O  O45  1  0.082  0.602  0.165  1.0
  O  O46  1  0.852  0.187  0.019  1.0
  O  O47  1  0.167  0.832  0.981  1.0
  O  O48  1  0.352  0.332  0.665  1.0
  O  O49  1  0.582  0.417  0.481  1.0
  O  O50  1  0.937  0.102  0.519  1.0
  O  O51  1  0.667  0.687  0.335  1.0
[/CIF]
.