The crystal structure described by BaCuV2O7 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 11-coordinate geometry to one O(3), two equivalent O(2), four equivalent O(4), and four equivalent O(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with two equivalent Cu(1)O5 square pyramids and  a cornercorner with one V(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form VO4 tetrahedra that share corners with three equivalent Cu(1)O5 square pyramids and  a cornercorner with one V(1)O4 tetrahedra. Cu(1) is bonded to one O(1), two equivalent O(4), and two equivalent O(5) atoms to form CuO5 square pyramids that share corners with two equivalent V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one V(2), and one Cu(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one Cu(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ba(1), one V(1), and one V(2) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one V(1) atom. In the fifth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one V(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaV2CuO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.587
_cell_length_b   7.597
_cell_length_c   15.353
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   651.668
_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
  Ba  Ba0  1  0.250  0.884  0.300  1.0
  Ba  Ba1  1  0.750  0.116  0.700  1.0
  Ba  Ba2  1  0.750  0.384  0.200  1.0
  Ba  Ba3  1  0.250  0.616  0.800  1.0
  V  V4  1  0.250  0.886  0.591  1.0
  V  V5  1  0.750  0.114  0.409  1.0
  V  V6  1  0.750  0.386  0.909  1.0
  V  V7  1  0.250  0.614  0.091  1.0
  V  V8  1  0.250  0.143  0.107  1.0
  V  V9  1  0.750  0.857  0.893  1.0
  V  V10  1  0.750  0.643  0.393  1.0
  V  V11  1  0.250  0.357  0.607  1.0
  Cu  Cu12  1  0.250  0.386  0.368  1.0
  Cu  Cu13  1  0.750  0.614  0.632  1.0
  Cu  Cu14  1  0.750  0.886  0.132  1.0
  Cu  Cu15  1  0.250  0.114  0.868  1.0
  O  O16  1  0.250  0.418  0.504  1.0
  O  O17  1  0.750  0.582  0.496  1.0
  O  O18  1  0.750  0.918  0.996  1.0
  O  O19  1  0.250  0.082  0.004  1.0
  O  O20  1  0.250  0.119  0.627  1.0
  O  O21  1  0.750  0.881  0.373  1.0
  O  O22  1  0.750  0.619  0.873  1.0
  O  O23  1  0.250  0.381  0.127  1.0
  O  O24  1  0.250  0.863  0.483  1.0
  O  O25  1  0.750  0.137  0.517  1.0
  O  O26  1  0.750  0.363  0.017  1.0
  O  O27  1  0.250  0.637  0.983  1.0
  O  O28  1  0.502  0.797  0.642  1.0
  O  O29  1  0.002  0.203  0.358  1.0
  O  O30  1  0.498  0.297  0.858  1.0
  O  O31  1  0.998  0.703  0.142  1.0
  O  O32  1  0.498  0.203  0.358  1.0
  O  O33  1  0.998  0.797  0.642  1.0
  O  O34  1  0.502  0.703  0.142  1.0
  O  O35  1  0.002  0.297  0.858  1.0
  O  O36  1  0.498  0.562  0.337  1.0
  O  O37  1  0.998  0.438  0.663  1.0
  O  O38  1  0.502  0.062  0.163  1.0
  O  O39  1  0.002  0.938  0.837  1.0
  O  O40  1  0.502  0.438  0.663  1.0
  O  O41  1  0.002  0.562  0.337  1.0
  O  O42  1  0.498  0.938  0.837  1.0
  O  O43  1  0.998  0.062  0.163  1.0
[/CIF]
.
The crystal structure described by BaCuV2O7 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 11-coordinate geometry to one O(3), two equivalent O(2), four equivalent O(4), and four equivalent O(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with two equivalent Cu(1)O5 square pyramids and  a cornercorner with one V(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form VO4 tetrahedra that share corners with three equivalent Cu(1)O5 square pyramids and  a cornercorner with one V(1)O4 tetrahedra. Cu(1) is bonded to one O(1), two equivalent O(4), and two equivalent O(5) atoms to form CuO5 square pyramids that share corners with two equivalent V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one V(2), and one Cu(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one Cu(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ba(1), one V(1), and one V(2) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one V(1) atom. In the fifth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one V(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaV2CuO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.587
_cell_length_b   7.597
_cell_length_c   15.353
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   651.668
_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
  Ba  Ba0  1  0.250  0.884  0.300  1.0
  Ba  Ba1  1  0.750  0.116  0.700  1.0
  Ba  Ba2  1  0.750  0.384  0.200  1.0
  Ba  Ba3  1  0.250  0.616  0.800  1.0
  V  V4  1  0.250  0.886  0.591  1.0
  V  V5  1  0.750  0.114  0.409  1.0
  V  V6  1  0.750  0.386  0.909  1.0
  V  V7  1  0.250  0.614  0.091  1.0
  V  V8  1  0.250  0.143  0.107  1.0
  V  V9  1  0.750  0.857  0.893  1.0
  V  V10  1  0.750  0.643  0.393  1.0
  V  V11  1  0.250  0.357  0.607  1.0
  Cu  Cu12  1  0.250  0.386  0.368  1.0
  Cu  Cu13  1  0.750  0.614  0.632  1.0
  Cu  Cu14  1  0.750  0.886  0.132  1.0
  Cu  Cu15  1  0.250  0.114  0.868  1.0
  O  O16  1  0.250  0.418  0.504  1.0
  O  O17  1  0.750  0.582  0.496  1.0
  O  O18  1  0.750  0.918  0.996  1.0
  O  O19  1  0.250  0.082  0.004  1.0
  O  O20  1  0.250  0.119  0.627  1.0
  O  O21  1  0.750  0.881  0.373  1.0
  O  O22  1  0.750  0.619  0.873  1.0
  O  O23  1  0.250  0.381  0.127  1.0
  O  O24  1  0.250  0.863  0.483  1.0
  O  O25  1  0.750  0.137  0.517  1.0
  O  O26  1  0.750  0.363  0.017  1.0
  O  O27  1  0.250  0.637  0.983  1.0
  O  O28  1  0.502  0.797  0.642  1.0
  O  O29  1  0.002  0.203  0.358  1.0
  O  O30  1  0.498  0.297  0.858  1.0
  O  O31  1  0.998  0.703  0.142  1.0
  O  O32  1  0.498  0.203  0.358  1.0
  O  O33  1  0.998  0.797  0.642  1.0
  O  O34  1  0.502  0.703  0.142  1.0
  O  O35  1  0.002  0.297  0.858  1.0
  O  O36  1  0.498  0.562  0.337  1.0
  O  O37  1  0.998  0.438  0.663  1.0
  O  O38  1  0.502  0.062  0.163  1.0
  O  O39  1  0.002  0.938  0.837  1.0
  O  O40  1  0.502  0.438  0.663  1.0
  O  O41  1  0.002  0.562  0.337  1.0
  O  O42  1  0.498  0.938  0.837  1.0
  O  O43  1  0.998  0.062  0.163  1.0
[/CIF]
.