The material structure described by V2Cu2BiO8 crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the second V site, V(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(8) atoms to form CuO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second Cu site, Cu(2) is bonded to one O(3), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form CuO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. Bi(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent V(1), one Cu(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one V(1), two equivalent Cu(1), and one Bi(1) atom. In the third O site, O(3) is bonded to two equivalent V(2), one Cu(2), and one Bi(1) atom to form distorted OV2CuBi tetrahedra that share corners with two equivalent O(3)V2CuBi tetrahedra,  a cornercorner with one O(4)VCu2Bi trigonal pyramid, and edges with two equivalent O(4)VCu2Bi trigonal pyramids. In the fourth O site, O(4) is bonded to one V(2), two equivalent Cu(2), and one Bi(1) atom to form distorted OVCu2Bi trigonal pyramids that share  a cornercorner with one O(3)V2CuBi tetrahedra, corners with two equivalent O(4)VCu2Bi trigonal pyramids, and edges with two equivalent O(3)V2CuBi tetrahedra. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent Cu(2) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(2) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to two equivalent V(1) and one Cu(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Cu2BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.109
_cell_length_b   7.094
_cell_length_c   7.075
_cell_angle_alpha   91.682
_cell_angle_beta   102.920
_cell_angle_gamma   77.615
_symmetry_Int_Tables_number   1
_cell_volume   148.554
_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  0.348  0.487  0.186  1.0
  V  V1  1  0.168  0.188  0.528  1.0
  Cu  Cu2  1  0.645  0.523  0.813  1.0
  Cu  Cu3  1  0.833  0.813  0.482  1.0
  Bi  Bi4  1  0.954  0.999  0.004  1.0
  O  O5  1  0.844  0.345  0.042  1.0
  O  O6  1  0.143  0.664  0.967  1.0
  O  O7  1  0.805  0.046  0.659  1.0
  O  O8  1  0.186  0.958  0.342  1.0
  O  O9  1  0.456  0.707  0.618  1.0
  O  O10  1  0.540  0.288  0.372  1.0
  O  O11  1  0.838  0.611  0.289  1.0
  O  O12  1  0.168  0.371  0.698  1.0
[/CIF]
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The material structure described by V2Cu2BiO8 crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the second V site, V(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(8) atoms to form CuO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second Cu site, Cu(2) is bonded to one O(3), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form CuO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. Bi(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent V(1), one Cu(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one V(1), two equivalent Cu(1), and one Bi(1) atom. In the third O site, O(3) is bonded to two equivalent V(2), one Cu(2), and one Bi(1) atom to form distorted OV2CuBi tetrahedra that share corners with two equivalent O(3)V2CuBi tetrahedra,  a cornercorner with one O(4)VCu2Bi trigonal pyramid, and edges with two equivalent O(4)VCu2Bi trigonal pyramids. In the fourth O site, O(4) is bonded to one V(2), two equivalent Cu(2), and one Bi(1) atom to form distorted OVCu2Bi trigonal pyramids that share  a cornercorner with one O(3)V2CuBi tetrahedra, corners with two equivalent O(4)VCu2Bi trigonal pyramids, and edges with two equivalent O(3)V2CuBi tetrahedra. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent Cu(2) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(2) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to two equivalent V(1) and one Cu(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Cu2BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.109
_cell_length_b   7.094
_cell_length_c   7.075
_cell_angle_alpha   91.682
_cell_angle_beta   102.920
_cell_angle_gamma   77.615
_symmetry_Int_Tables_number   1
_cell_volume   148.554
_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  0.348  0.487  0.186  1.0
  V  V1  1  0.168  0.188  0.528  1.0
  Cu  Cu2  1  0.645  0.523  0.813  1.0
  Cu  Cu3  1  0.833  0.813  0.482  1.0
  Bi  Bi4  1  0.954  0.999  0.004  1.0
  O  O5  1  0.844  0.345  0.042  1.0
  O  O6  1  0.143  0.664  0.967  1.0
  O  O7  1  0.805  0.046  0.659  1.0
  O  O8  1  0.186  0.958  0.342  1.0
  O  O9  1  0.456  0.707  0.618  1.0
  O  O10  1  0.540  0.288  0.372  1.0
  O  O11  1  0.838  0.611  0.289  1.0
  O  O12  1  0.168  0.371  0.698  1.0
[/CIF]
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