The material described by V2CuH3O7 crystallizes in the triclinic P-1 space group. There are two 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(6) atoms. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to two equivalent O(4) and two equivalent O(6) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(6) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(2) and one Cu(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(1), one V(2), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one V(1) and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent V(1), one Cu(2), and one H(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one H(2), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2CuH3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.234
_cell_length_b   5.384
_cell_length_c   10.458
_cell_angle_alpha   99.452
_cell_angle_beta   100.653
_cell_angle_gamma   102.162
_symmetry_Int_Tables_number   1
_cell_volume   276.685
_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  0.182  0.075  0.670  1.0
  V  V1  1  0.818  0.925  0.330  1.0
  V  V2  1  0.639  0.666  0.718  1.0
  V  V3  1  0.361  0.334  0.282  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  H  H6  1  0.714  0.155  0.587  1.0
  H  H7  1  0.286  0.845  0.413  1.0
  H  H8  1  0.901  0.283  0.057  1.0
  H  H9  1  0.099  0.717  0.943  1.0
  H  H10  1  0.683  0.104  0.933  1.0
  H  H11  1  0.317  0.896  0.067  1.0
  O  O12  1  0.722  0.649  0.883  1.0
  O  O13  1  0.278  0.351  0.117  1.0
  O  O14  1  0.498  0.929  0.705  1.0
  O  O15  1  0.502  0.071  0.295  1.0
  O  O16  1  0.420  0.377  0.625  1.0
  O  O17  1  0.580  0.623  0.375  1.0
  O  O18  1  0.939  0.715  0.655  1.0
  O  O19  1  0.061  0.285  0.345  1.0
  O  O20  1  0.159  0.215  0.818  1.0
  O  O21  1  0.841  0.785  0.182  1.0
  O  O22  1  0.871  0.161  0.547  1.0
  O  O23  1  0.129  0.839  0.453  1.0
  O  O24  1  0.706  0.226  0.017  1.0
  O  O25  1  0.294  0.774  0.983  1.0
[/CIF]
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The material described by V2CuH3O7 crystallizes in the triclinic P-1 space group. There are two 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(6) atoms. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to two equivalent O(4) and two equivalent O(6) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(6) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(2) and one Cu(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(1), one V(2), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one V(1) and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent V(1), one Cu(2), and one H(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one H(2), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2CuH3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.234
_cell_length_b   5.384
_cell_length_c   10.458
_cell_angle_alpha   99.452
_cell_angle_beta   100.653
_cell_angle_gamma   102.162
_symmetry_Int_Tables_number   1
_cell_volume   276.685
_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  0.182  0.075  0.670  1.0
  V  V1  1  0.818  0.925  0.330  1.0
  V  V2  1  0.639  0.666  0.718  1.0
  V  V3  1  0.361  0.334  0.282  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  H  H6  1  0.714  0.155  0.587  1.0
  H  H7  1  0.286  0.845  0.413  1.0
  H  H8  1  0.901  0.283  0.057  1.0
  H  H9  1  0.099  0.717  0.943  1.0
  H  H10  1  0.683  0.104  0.933  1.0
  H  H11  1  0.317  0.896  0.067  1.0
  O  O12  1  0.722  0.649  0.883  1.0
  O  O13  1  0.278  0.351  0.117  1.0
  O  O14  1  0.498  0.929  0.705  1.0
  O  O15  1  0.502  0.071  0.295  1.0
  O  O16  1  0.420  0.377  0.625  1.0
  O  O17  1  0.580  0.623  0.375  1.0
  O  O18  1  0.939  0.715  0.655  1.0
  O  O19  1  0.061  0.285  0.345  1.0
  O  O20  1  0.159  0.215  0.818  1.0
  O  O21  1  0.841  0.785  0.182  1.0
  O  O22  1  0.871  0.161  0.547  1.0
  O  O23  1  0.129  0.839  0.453  1.0
  O  O24  1  0.706  0.226  0.017  1.0
  O  O25  1  0.294  0.774  0.983  1.0
[/CIF]
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