The crystal structure described by VCuPbHO5 crystallizes in the orthorhombic Pnma space group. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. Cu(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CuO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra and edges with two equivalent Cu(1)O6 octahedra. Pb(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), and four equivalent O(1) atoms. H(1) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Cu(1), one Pb(1), and one H(1) atom. In the second O site, O(1) is bonded in a 2-coordinate geometry to one V(1), one Cu(1), and two equivalent Pb(1) atoms. In the third O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one V(1), two equivalent Cu(1), and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VCuHPbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.164
_cell_length_b   7.845
_cell_length_c   9.278
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   448.671
_cell_formula_units_Z   4
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  0.250  0.112  0.197  1.0
  V  V1  1  0.750  0.888  0.803  1.0
  V  V2  1  0.250  0.612  0.303  1.0
  V  V3  1  0.750  0.388  0.697  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
  Cu  Cu6  1  0.500  0.000  0.500  1.0
  Cu  Cu7  1  0.000  0.000  0.500  1.0
  H  H8  1  0.750  0.252  0.005  1.0
  H  H9  1  0.250  0.748  0.995  1.0
  H  H10  1  0.750  0.752  0.495  1.0
  H  H11  1  0.250  0.248  0.505  1.0
  Pb  Pb12  1  0.750  0.860  0.170  1.0
  Pb  Pb13  1  0.250  0.140  0.830  1.0
  Pb  Pb14  1  0.750  0.360  0.330  1.0
  Pb  Pb15  1  0.250  0.640  0.670  1.0
  O  O16  1  0.495  0.109  0.301  1.0
  O  O17  1  0.995  0.891  0.699  1.0
  O  O18  1  0.005  0.609  0.199  1.0
  O  O19  1  0.505  0.391  0.801  1.0
  O  O20  1  0.505  0.891  0.699  1.0
  O  O21  1  0.005  0.109  0.301  1.0
  O  O22  1  0.995  0.391  0.801  1.0
  O  O23  1  0.495  0.609  0.199  1.0
  O  O24  1  0.250  0.940  0.081  1.0
  O  O25  1  0.750  0.060  0.919  1.0
  O  O26  1  0.250  0.440  0.419  1.0
  O  O27  1  0.750  0.560  0.581  1.0
  O  O28  1  0.250  0.286  0.085  1.0
  O  O29  1  0.750  0.714  0.915  1.0
  O  O30  1  0.250  0.786  0.415  1.0
  O  O31  1  0.750  0.214  0.585  1.0
  O  O32  1  0.750  0.362  0.060  1.0
  O  O33  1  0.250  0.638  0.940  1.0
  O  O34  1  0.750  0.862  0.440  1.0
  O  O35  1  0.250  0.138  0.560  1.0
[/CIF]
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The crystal structure described by VCuPbHO5 crystallizes in the orthorhombic Pnma space group. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. Cu(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CuO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra and edges with two equivalent Cu(1)O6 octahedra. Pb(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), and four equivalent O(1) atoms. H(1) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Cu(1), one Pb(1), and one H(1) atom. In the second O site, O(1) is bonded in a 2-coordinate geometry to one V(1), one Cu(1), and two equivalent Pb(1) atoms. In the third O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one V(1), two equivalent Cu(1), and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VCuHPbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.164
_cell_length_b   7.845
_cell_length_c   9.278
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   448.671
_cell_formula_units_Z   4
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  0.250  0.112  0.197  1.0
  V  V1  1  0.750  0.888  0.803  1.0
  V  V2  1  0.250  0.612  0.303  1.0
  V  V3  1  0.750  0.388  0.697  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
  Cu  Cu6  1  0.500  0.000  0.500  1.0
  Cu  Cu7  1  0.000  0.000  0.500  1.0
  H  H8  1  0.750  0.252  0.005  1.0
  H  H9  1  0.250  0.748  0.995  1.0
  H  H10  1  0.750  0.752  0.495  1.0
  H  H11  1  0.250  0.248  0.505  1.0
  Pb  Pb12  1  0.750  0.860  0.170  1.0
  Pb  Pb13  1  0.250  0.140  0.830  1.0
  Pb  Pb14  1  0.750  0.360  0.330  1.0
  Pb  Pb15  1  0.250  0.640  0.670  1.0
  O  O16  1  0.495  0.109  0.301  1.0
  O  O17  1  0.995  0.891  0.699  1.0
  O  O18  1  0.005  0.609  0.199  1.0
  O  O19  1  0.505  0.391  0.801  1.0
  O  O20  1  0.505  0.891  0.699  1.0
  O  O21  1  0.005  0.109  0.301  1.0
  O  O22  1  0.995  0.391  0.801  1.0
  O  O23  1  0.495  0.609  0.199  1.0
  O  O24  1  0.250  0.940  0.081  1.0
  O  O25  1  0.750  0.060  0.919  1.0
  O  O26  1  0.250  0.440  0.419  1.0
  O  O27  1  0.750  0.560  0.581  1.0
  O  O28  1  0.250  0.286  0.085  1.0
  O  O29  1  0.750  0.714  0.915  1.0
  O  O30  1  0.250  0.786  0.415  1.0
  O  O31  1  0.750  0.214  0.585  1.0
  O  O32  1  0.750  0.362  0.060  1.0
  O  O33  1  0.250  0.638  0.940  1.0
  O  O34  1  0.750  0.862  0.440  1.0
  O  O35  1  0.250  0.138  0.560  1.0
[/CIF]
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