The material described by CoV3O8 crystallizes in the monoclinic Cm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms. 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 distorted VO6 octahedra that share corners with two equivalent V(3)O6 octahedra and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. 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 corners with two equivalent Co(1)O6 octahedra and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar 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 OV2Co2 tetrahedra that share corners with two equivalent O(2)V2Co2 tetrahedra and edges with two equivalent O(7)V3Co trigonal pyramids. In the third O site, O(3) is bonded in a linear geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate 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 to one V(2), two equivalent V(3), and one Co(1) atom to form distorted OV3Co trigonal pyramids that share corners with two equivalent O(7)V3Co trigonal pyramids and edges with two equivalent O(2)V2Co2 tetrahedra. 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 file [CIF]
data_V3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.419
_cell_length_b   6.419
_cell_length_c   6.563
_cell_angle_alpha   73.637
_cell_angle_beta   73.637
_cell_angle_gamma   34.022
_symmetry_Int_Tables_number   1
_cell_volume   144.582
_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
  V  V0  1  0.601  0.601  0.279  1.0
  V  V1  1  0.400  0.400  0.724  1.0
  V  V2  1  0.703  0.703  0.702  1.0
  Co  Co3  1  0.303  0.303  0.302  1.0
  O  O4  1  0.867  0.867  0.689  1.0
  O  O5  1  0.744  0.744  0.379  1.0
  O  O6  1  0.640  0.640  0.990  1.0
  O  O7  1  0.551  0.551  0.646  1.0
  O  O8  1  0.455  0.455  0.355  1.0
  O  O9  1  0.364  0.364  0.989  1.0
  O  O10  1  0.246  0.246  0.660  1.0
  O  O11  1  0.126  0.126  0.287  1.0
[/CIF]
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The material described by CoV3O8 crystallizes in the monoclinic Cm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms. 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 distorted VO6 octahedra that share corners with two equivalent V(3)O6 octahedra and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. 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 corners with two equivalent Co(1)O6 octahedra and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar 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 OV2Co2 tetrahedra that share corners with two equivalent O(2)V2Co2 tetrahedra and edges with two equivalent O(7)V3Co trigonal pyramids. In the third O site, O(3) is bonded in a linear geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate 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 to one V(2), two equivalent V(3), and one Co(1) atom to form distorted OV3Co trigonal pyramids that share corners with two equivalent O(7)V3Co trigonal pyramids and edges with two equivalent O(2)V2Co2 tetrahedra. 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 file [CIF]
data_V3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.419
_cell_length_b   6.419
_cell_length_c   6.563
_cell_angle_alpha   73.637
_cell_angle_beta   73.637
_cell_angle_gamma   34.022
_symmetry_Int_Tables_number   1
_cell_volume   144.582
_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
  V  V0  1  0.601  0.601  0.279  1.0
  V  V1  1  0.400  0.400  0.724  1.0
  V  V2  1  0.703  0.703  0.702  1.0
  Co  Co3  1  0.303  0.303  0.302  1.0
  O  O4  1  0.867  0.867  0.689  1.0
  O  O5  1  0.744  0.744  0.379  1.0
  O  O6  1  0.640  0.640  0.990  1.0
  O  O7  1  0.551  0.551  0.646  1.0
  O  O8  1  0.455  0.455  0.355  1.0
  O  O9  1  0.364  0.364  0.989  1.0
  O  O10  1  0.246  0.246  0.660  1.0
  O  O11  1  0.126  0.126  0.287  1.0
[/CIF]
.