The structure described by BaV2H2(Se2O7)2 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a distorted q6 geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. H(1) is bonded in a distorted single-bond geometry to one O(4) and one O(7) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(5), and one O(7) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(1), and one Se(1) atom. In the second O site, O(6) is bonded in a single-bond geometry to one Ba(1) and one V(1) atom. In the third O site, O(7) is bonded in a distorted water-like geometry to one H(1) and one Se(1) atom. In the fourth O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one Se(1) atom. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one V(1), and one Se(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), and one Se(2) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one V(1), one H(1), and one Se(2) atom. is represented by the CIF card [CIF]
data_BaV2H2(Se2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.206
_cell_length_b   9.888
_cell_length_c   10.013
_cell_angle_alpha   63.475
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   638.352
_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
  Ba  Ba0  1  0.500  0.500  0.000  1.0
  Ba  Ba1  1  0.000  0.500  0.500  1.0
  V  V2  1  0.526  0.295  0.445  1.0
  V  V3  1  0.026  0.705  0.055  1.0
  V  V4  1  0.474  0.705  0.555  1.0
  V  V5  1  0.974  0.295  0.945  1.0
  H  H6  1  0.431  0.869  0.946  1.0
  H  H7  1  0.931  0.131  0.554  1.0
  H  H8  1  0.569  0.131  0.054  1.0
  H  H9  1  0.069  0.869  0.446  1.0
  Se  Se10  1  0.426  0.945  0.689  1.0
  Se  Se11  1  0.926  0.055  0.811  1.0
  Se  Se12  1  0.574  0.055  0.311  1.0
  Se  Se13  1  0.074  0.945  0.189  1.0
  Se  Se14  1  0.505  0.315  0.751  1.0
  Se  Se15  1  0.005  0.685  0.749  1.0
  Se  Se16  1  0.495  0.685  0.249  1.0
  Se  Se17  1  0.995  0.315  0.251  1.0
  O  O18  1  0.590  0.073  0.581  1.0
  O  O19  1  0.090  0.927  0.919  1.0
  O  O20  1  0.410  0.927  0.419  1.0
  O  O21  1  0.910  0.073  0.081  1.0
  O  O22  1  0.653  0.348  0.601  1.0
  O  O23  1  0.153  0.652  0.899  1.0
  O  O24  1  0.347  0.652  0.399  1.0
  O  O25  1  0.847  0.348  0.101  1.0
  O  O26  1  0.566  0.504  0.281  1.0
  O  O27  1  0.066  0.496  0.219  1.0
  O  O28  1  0.434  0.496  0.719  1.0
  O  O29  1  0.934  0.504  0.781  1.0
  O  O30  1  0.846  0.277  0.400  1.0
  O  O31  1  0.346  0.723  0.100  1.0
  O  O32  1  0.154  0.723  0.600  1.0
  O  O33  1  0.654  0.277  0.900  1.0
  O  O34  1  0.480  0.229  0.282  1.0
  O  O35  1  0.980  0.771  0.218  1.0
  O  O36  1  0.520  0.771  0.718  1.0
  O  O37  1  0.020  0.229  0.782  1.0
  O  O38  1  0.310  0.304  0.496  1.0
  O  O39  1  0.810  0.696  0.004  1.0
  O  O40  1  0.690  0.696  0.504  1.0
  O  O41  1  0.190  0.304  0.996  1.0
  O  O42  1  0.503  0.946  0.857  1.0
  O  O43  1  0.003  0.054  0.643  1.0
  O  O44  1  0.497  0.054  0.143  1.0
  O  O45  1  0.997  0.946  0.357  1.0
[/CIF]
.
The structure described by BaV2H2(Se2O7)2 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a distorted q6 geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. H(1) is bonded in a distorted single-bond geometry to one O(4) and one O(7) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(5), and one O(7) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(1), and one Se(1) atom. In the second O site, O(6) is bonded in a single-bond geometry to one Ba(1) and one V(1) atom. In the third O site, O(7) is bonded in a distorted water-like geometry to one H(1) and one Se(1) atom. In the fourth O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one Se(1) atom. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one V(1), and one Se(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), and one Se(2) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one V(1), one H(1), and one Se(2) atom. is represented by the CIF card [CIF]
data_BaV2H2(Se2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.206
_cell_length_b   9.888
_cell_length_c   10.013
_cell_angle_alpha   63.475
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   638.352
_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
  Ba  Ba0  1  0.500  0.500  0.000  1.0
  Ba  Ba1  1  0.000  0.500  0.500  1.0
  V  V2  1  0.526  0.295  0.445  1.0
  V  V3  1  0.026  0.705  0.055  1.0
  V  V4  1  0.474  0.705  0.555  1.0
  V  V5  1  0.974  0.295  0.945  1.0
  H  H6  1  0.431  0.869  0.946  1.0
  H  H7  1  0.931  0.131  0.554  1.0
  H  H8  1  0.569  0.131  0.054  1.0
  H  H9  1  0.069  0.869  0.446  1.0
  Se  Se10  1  0.426  0.945  0.689  1.0
  Se  Se11  1  0.926  0.055  0.811  1.0
  Se  Se12  1  0.574  0.055  0.311  1.0
  Se  Se13  1  0.074  0.945  0.189  1.0
  Se  Se14  1  0.505  0.315  0.751  1.0
  Se  Se15  1  0.005  0.685  0.749  1.0
  Se  Se16  1  0.495  0.685  0.249  1.0
  Se  Se17  1  0.995  0.315  0.251  1.0
  O  O18  1  0.590  0.073  0.581  1.0
  O  O19  1  0.090  0.927  0.919  1.0
  O  O20  1  0.410  0.927  0.419  1.0
  O  O21  1  0.910  0.073  0.081  1.0
  O  O22  1  0.653  0.348  0.601  1.0
  O  O23  1  0.153  0.652  0.899  1.0
  O  O24  1  0.347  0.652  0.399  1.0
  O  O25  1  0.847  0.348  0.101  1.0
  O  O26  1  0.566  0.504  0.281  1.0
  O  O27  1  0.066  0.496  0.219  1.0
  O  O28  1  0.434  0.496  0.719  1.0
  O  O29  1  0.934  0.504  0.781  1.0
  O  O30  1  0.846  0.277  0.400  1.0
  O  O31  1  0.346  0.723  0.100  1.0
  O  O32  1  0.154  0.723  0.600  1.0
  O  O33  1  0.654  0.277  0.900  1.0
  O  O34  1  0.480  0.229  0.282  1.0
  O  O35  1  0.980  0.771  0.218  1.0
  O  O36  1  0.520  0.771  0.718  1.0
  O  O37  1  0.020  0.229  0.782  1.0
  O  O38  1  0.310  0.304  0.496  1.0
  O  O39  1  0.810  0.696  0.004  1.0
  O  O40  1  0.690  0.696  0.504  1.0
  O  O41  1  0.190  0.304  0.996  1.0
  O  O42  1  0.503  0.946  0.857  1.0
  O  O43  1  0.003  0.054  0.643  1.0
  O  O44  1  0.497  0.054  0.143  1.0
  O  O45  1  0.997  0.946  0.357  1.0
[/CIF]
.