The crystal structure described by BaV2O7 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(7), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form corner-sharing VO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(7) is bonded in a single-bond geometry to one Ba(1) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one V(1), and one V(2) atom. In the fifth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(1) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(2) atom. In the seventh O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(2) atom. is represented by the CIF file [CIF]
data_BaV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.398
_cell_length_b   9.056
_cell_length_c   10.645
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   713.168
_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  0.743  0.883  0.490  1.0
  Ba  Ba1  1  0.757  0.117  0.990  1.0
  Ba  Ba2  1  0.243  0.617  0.510  1.0
  Ba  Ba3  1  0.257  0.383  0.010  1.0
  V  V4  1  0.528  0.770  0.182  1.0
  V  V5  1  0.972  0.230  0.682  1.0
  V  V6  1  0.028  0.730  0.818  1.0
  V  V7  1  0.472  0.270  0.318  1.0
  V  V8  1  0.771  0.489  0.494  1.0
  V  V9  1  0.729  0.511  0.994  1.0
  V  V10  1  0.271  0.011  0.506  1.0
  V  V11  1  0.229  0.989  0.006  1.0
  O  O12  1  0.706  0.885  0.174  1.0
  O  O13  1  0.794  0.115  0.674  1.0
  O  O14  1  0.206  0.615  0.826  1.0
  O  O15  1  0.294  0.385  0.326  1.0
  O  O16  1  0.433  0.097  0.400  1.0
  O  O17  1  0.067  0.903  0.900  1.0
  O  O18  1  0.933  0.403  0.600  1.0
  O  O19  1  0.567  0.597  0.100  1.0
  O  O20  1  0.483  0.736  0.334  1.0
  O  O21  1  0.017  0.264  0.834  1.0
  O  O22  1  0.983  0.764  0.666  1.0
  O  O23  1  0.517  0.236  0.166  1.0
  O  O24  1  0.895  0.613  0.414  1.0
  O  O25  1  0.605  0.387  0.914  1.0
  O  O26  1  0.395  0.887  0.586  1.0
  O  O27  1  0.105  0.113  0.086  1.0
  O  O28  1  0.891  0.416  0.069  1.0
  O  O29  1  0.609  0.584  0.569  1.0
  O  O30  1  0.391  0.084  0.931  1.0
  O  O31  1  0.109  0.916  0.431  1.0
  O  O32  1  0.330  0.850  0.107  1.0
  O  O33  1  0.170  0.150  0.607  1.0
  O  O34  1  0.830  0.650  0.893  1.0
  O  O35  1  0.670  0.350  0.393  1.0
  O  O36  1  0.659  0.872  0.820  1.0
  O  O37  1  0.841  0.128  0.320  1.0
  O  O38  1  0.159  0.628  0.180  1.0
  O  O39  1  0.341  0.372  0.680  1.0
[/CIF]
.
The crystal structure described by BaV2O7 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(7), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form corner-sharing VO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(7) is bonded in a single-bond geometry to one Ba(1) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one V(1), and one V(2) atom. In the fifth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(1) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(2) atom. In the seventh O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(2) atom. is represented by the CIF file [CIF]
data_BaV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.398
_cell_length_b   9.056
_cell_length_c   10.645
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   713.168
_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  0.743  0.883  0.490  1.0
  Ba  Ba1  1  0.757  0.117  0.990  1.0
  Ba  Ba2  1  0.243  0.617  0.510  1.0
  Ba  Ba3  1  0.257  0.383  0.010  1.0
  V  V4  1  0.528  0.770  0.182  1.0
  V  V5  1  0.972  0.230  0.682  1.0
  V  V6  1  0.028  0.730  0.818  1.0
  V  V7  1  0.472  0.270  0.318  1.0
  V  V8  1  0.771  0.489  0.494  1.0
  V  V9  1  0.729  0.511  0.994  1.0
  V  V10  1  0.271  0.011  0.506  1.0
  V  V11  1  0.229  0.989  0.006  1.0
  O  O12  1  0.706  0.885  0.174  1.0
  O  O13  1  0.794  0.115  0.674  1.0
  O  O14  1  0.206  0.615  0.826  1.0
  O  O15  1  0.294  0.385  0.326  1.0
  O  O16  1  0.433  0.097  0.400  1.0
  O  O17  1  0.067  0.903  0.900  1.0
  O  O18  1  0.933  0.403  0.600  1.0
  O  O19  1  0.567  0.597  0.100  1.0
  O  O20  1  0.483  0.736  0.334  1.0
  O  O21  1  0.017  0.264  0.834  1.0
  O  O22  1  0.983  0.764  0.666  1.0
  O  O23  1  0.517  0.236  0.166  1.0
  O  O24  1  0.895  0.613  0.414  1.0
  O  O25  1  0.605  0.387  0.914  1.0
  O  O26  1  0.395  0.887  0.586  1.0
  O  O27  1  0.105  0.113  0.086  1.0
  O  O28  1  0.891  0.416  0.069  1.0
  O  O29  1  0.609  0.584  0.569  1.0
  O  O30  1  0.391  0.084  0.931  1.0
  O  O31  1  0.109  0.916  0.431  1.0
  O  O32  1  0.330  0.850  0.107  1.0
  O  O33  1  0.170  0.150  0.607  1.0
  O  O34  1  0.830  0.650  0.893  1.0
  O  O35  1  0.670  0.350  0.393  1.0
  O  O36  1  0.659  0.872  0.820  1.0
  O  O37  1  0.841  0.128  0.320  1.0
  O  O38  1  0.159  0.628  0.180  1.0
  O  O39  1  0.341  0.372  0.680  1.0
[/CIF]
.