The structure described by CuVO3 crystallizes in the triclinic P1 space group. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra and corners with five equivalent Cu(1)O4 tetrahedra. Cu(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form CuO4 tetrahedra that share corners with two equivalent Cu(1)O4 tetrahedra and corners with five equivalent V(1)O4 tetrahedra. 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 Cu(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent V(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VCuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.222
_cell_length_b   5.010
_cell_length_c   5.533
_cell_angle_alpha   111.119
_cell_angle_beta   105.332
_cell_angle_gamma   89.103
_symmetry_Int_Tables_number   1
_cell_volume   80.043
_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  0.745  0.345  0.137  1.0
  Cu  Cu1  1  0.377  0.957  0.442  1.0
  O  O2  1  0.800  0.063  0.246  1.0
  O  O3  1  0.594  0.212  0.798  1.0
  O  O4  1  0.294  0.538  0.256  1.0
[/CIF]
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The structure described by CuVO3 crystallizes in the triclinic P1 space group. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra and corners with five equivalent Cu(1)O4 tetrahedra. Cu(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form CuO4 tetrahedra that share corners with two equivalent Cu(1)O4 tetrahedra and corners with five equivalent V(1)O4 tetrahedra. 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 Cu(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent V(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VCuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.222
_cell_length_b   5.010
_cell_length_c   5.533
_cell_angle_alpha   111.119
_cell_angle_beta   105.332
_cell_angle_gamma   89.103
_symmetry_Int_Tables_number   1
_cell_volume   80.043
_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  0.745  0.345  0.137  1.0
  Cu  Cu1  1  0.377  0.957  0.442  1.0
  O  O2  1  0.800  0.063  0.246  1.0
  O  O3  1  0.594  0.212  0.798  1.0
  O  O4  1  0.294  0.538  0.256  1.0
[/CIF]
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