The crystal structure described by VCuBi2O7 crystallizes in the triclinic P-1 space group. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with two equivalent Bi(1)O6 pentagonal pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(6) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(6) and two equivalent O(7) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms to form distorted BiO6 pentagonal pyramids that share corners with two equivalent V(1)O4 tetrahedra and  an edgeedge with one Bi(1)O6 pentagonal pyramid. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(1) and one Bi(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one Bi(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one Bi(1), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one Cu(1), one Bi(1), and two equivalent Bi(2) atoms to form a mixture of distorted edge and corner-sharing OCuBi3 tetrahedra. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Cu(1), one Cu(2), and one Bi(1) atom. In the seventh O site, O(7) is bonded to one Cu(2), one Bi(2), and two equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing OCuBi3 tetrahedra. is represented by the CIF file [CIF]
data_VCuBi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.072
_cell_length_b   7.253
_cell_length_c   7.838
_cell_angle_alpha   89.883
_cell_angle_beta   107.423
_cell_angle_gamma   107.717
_symmetry_Int_Tables_number   1
_cell_volume   312.212
_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  0.898  0.724  0.073  1.0
  V  V1  1  0.102  0.276  0.927  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Bi  Bi4  1  0.472  0.868  0.706  1.0
  Bi  Bi5  1  0.528  0.132  0.294  1.0
  Bi  Bi6  1  0.519  0.379  0.723  1.0
  Bi  Bi7  1  0.481  0.621  0.277  1.0
  O  O8  1  0.768  0.501  0.139  1.0
  O  O9  1  0.232  0.499  0.861  1.0
  O  O10  1  0.770  0.876  0.148  1.0
  O  O11  1  0.230  0.124  0.852  1.0
  O  O12  1  0.222  0.802  0.169  1.0
  O  O13  1  0.778  0.198  0.831  1.0
  O  O14  1  0.779  0.696  0.835  1.0
  O  O15  1  0.221  0.304  0.165  1.0
  O  O16  1  0.328  0.578  0.518  1.0
  O  O17  1  0.672  0.422  0.482  1.0
  O  O18  1  0.051  0.763  0.571  1.0
  O  O19  1  0.949  0.237  0.429  1.0
  O  O20  1  0.334  0.088  0.515  1.0
  O  O21  1  0.666  0.912  0.485  1.0
[/CIF]
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The crystal structure described by VCuBi2O7 crystallizes in the triclinic P-1 space group. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with two equivalent Bi(1)O6 pentagonal pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(6) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(6) and two equivalent O(7) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms to form distorted BiO6 pentagonal pyramids that share corners with two equivalent V(1)O4 tetrahedra and  an edgeedge with one Bi(1)O6 pentagonal pyramid. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(1) and one Bi(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one Bi(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one Bi(1), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one Cu(1), one Bi(1), and two equivalent Bi(2) atoms to form a mixture of distorted edge and corner-sharing OCuBi3 tetrahedra. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Cu(1), one Cu(2), and one Bi(1) atom. In the seventh O site, O(7) is bonded to one Cu(2), one Bi(2), and two equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing OCuBi3 tetrahedra. is represented by the CIF file [CIF]
data_VCuBi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.072
_cell_length_b   7.253
_cell_length_c   7.838
_cell_angle_alpha   89.883
_cell_angle_beta   107.423
_cell_angle_gamma   107.717
_symmetry_Int_Tables_number   1
_cell_volume   312.212
_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  0.898  0.724  0.073  1.0
  V  V1  1  0.102  0.276  0.927  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Bi  Bi4  1  0.472  0.868  0.706  1.0
  Bi  Bi5  1  0.528  0.132  0.294  1.0
  Bi  Bi6  1  0.519  0.379  0.723  1.0
  Bi  Bi7  1  0.481  0.621  0.277  1.0
  O  O8  1  0.768  0.501  0.139  1.0
  O  O9  1  0.232  0.499  0.861  1.0
  O  O10  1  0.770  0.876  0.148  1.0
  O  O11  1  0.230  0.124  0.852  1.0
  O  O12  1  0.222  0.802  0.169  1.0
  O  O13  1  0.778  0.198  0.831  1.0
  O  O14  1  0.779  0.696  0.835  1.0
  O  O15  1  0.221  0.304  0.165  1.0
  O  O16  1  0.328  0.578  0.518  1.0
  O  O17  1  0.672  0.422  0.482  1.0
  O  O18  1  0.051  0.763  0.571  1.0
  O  O19  1  0.949  0.237  0.429  1.0
  O  O20  1  0.334  0.088  0.515  1.0
  O  O21  1  0.666  0.912  0.485  1.0
[/CIF]
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