The crystal structure described by Co3V2O8 crystallizes in the orthorhombic Cmce space group. V(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with four equivalent Co(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(1), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_V2Co3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.459
_cell_length_b   6.459
_cell_length_c   8.276
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   125.162
_symmetry_Int_Tables_number   1
_cell_volume   282.251
_cell_formula_units_Z   2
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
  V  V0  1  0.124  0.876  0.382  1.0
  V  V1  1  0.376  0.624  0.882  1.0
  V  V2  1  0.876  0.124  0.618  1.0
  V  V3  1  0.624  0.376  0.118  1.0
  Co  Co4  1  0.382  0.118  0.750  1.0
  Co  Co5  1  0.882  0.618  0.750  1.0
  Co  Co6  1  0.118  0.382  0.250  1.0
  Co  Co7  1  0.618  0.882  0.250  1.0
  Co  Co8  1  0.000  0.000  0.000  1.0
  Co  Co9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.753  0.247  0.229  1.0
  O  O11  1  0.648  0.884  0.497  1.0
  O  O12  1  0.884  0.648  0.503  1.0
  O  O13  1  0.998  0.002  0.753  1.0
  O  O14  1  0.148  0.384  0.003  1.0
  O  O15  1  0.502  0.498  0.253  1.0
  O  O16  1  0.002  0.998  0.247  1.0
  O  O17  1  0.616  0.852  0.003  1.0
  O  O18  1  0.384  0.148  0.997  1.0
  O  O19  1  0.247  0.753  0.771  1.0
  O  O20  1  0.498  0.502  0.747  1.0
  O  O21  1  0.116  0.352  0.497  1.0
  O  O22  1  0.253  0.747  0.271  1.0
  O  O23  1  0.352  0.116  0.503  1.0
  O  O24  1  0.747  0.253  0.729  1.0
  O  O25  1  0.852  0.616  0.997  1.0
[/CIF]
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The crystal structure described by Co3V2O8 crystallizes in the orthorhombic Cmce space group. V(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with four equivalent Co(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(1), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_V2Co3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.459
_cell_length_b   6.459
_cell_length_c   8.276
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   125.162
_symmetry_Int_Tables_number   1
_cell_volume   282.251
_cell_formula_units_Z   2
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
  V  V0  1  0.124  0.876  0.382  1.0
  V  V1  1  0.376  0.624  0.882  1.0
  V  V2  1  0.876  0.124  0.618  1.0
  V  V3  1  0.624  0.376  0.118  1.0
  Co  Co4  1  0.382  0.118  0.750  1.0
  Co  Co5  1  0.882  0.618  0.750  1.0
  Co  Co6  1  0.118  0.382  0.250  1.0
  Co  Co7  1  0.618  0.882  0.250  1.0
  Co  Co8  1  0.000  0.000  0.000  1.0
  Co  Co9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.753  0.247  0.229  1.0
  O  O11  1  0.648  0.884  0.497  1.0
  O  O12  1  0.884  0.648  0.503  1.0
  O  O13  1  0.998  0.002  0.753  1.0
  O  O14  1  0.148  0.384  0.003  1.0
  O  O15  1  0.502  0.498  0.253  1.0
  O  O16  1  0.002  0.998  0.247  1.0
  O  O17  1  0.616  0.852  0.003  1.0
  O  O18  1  0.384  0.148  0.997  1.0
  O  O19  1  0.247  0.753  0.771  1.0
  O  O20  1  0.498  0.502  0.747  1.0
  O  O21  1  0.116  0.352  0.497  1.0
  O  O22  1  0.253  0.747  0.271  1.0
  O  O23  1  0.352  0.116  0.503  1.0
  O  O24  1  0.747  0.253  0.729  1.0
  O  O25  1  0.852  0.616  0.997  1.0
[/CIF]
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