The compound described by Y3VH3O8 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. V(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), two equivalent Y(2), and one V(1) atom to form a mixture of corner and edge-sharing OY3V tetrahedra. In the second O site, O(2) is bonded to one Y(1), two equivalent Y(2), and one V(1) atom to form a mixture of corner and edge-sharing OY3V tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Y(1), two equivalent Y(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one V(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Y(1), two equivalent Y(2), and one H(2) atom. is represented by the CIF file [CIF]
data_Y3VH3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.609
_cell_length_b   5.984
_cell_length_c   10.431
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.056
_symmetry_Int_Tables_number   1
_cell_volume   338.105
_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
  Y  Y0  1  0.767  0.799  0.750  1.0
  Y  Y1  1  0.233  0.201  0.250  1.0
  Y  Y2  1  0.685  0.306  0.540  1.0
  Y  Y3  1  0.315  0.694  0.040  1.0
  Y  Y4  1  0.315  0.694  0.460  1.0
  Y  Y5  1  0.685  0.306  0.960  1.0
  V  V6  1  0.185  0.462  0.750  1.0
  V  V7  1  0.815  0.538  0.250  1.0
  H  H8  1  0.845  0.902  0.462  1.0
  H  H9  1  0.155  0.098  0.962  1.0
  H  H10  1  0.155  0.098  0.538  1.0
  H  H11  1  0.845  0.902  0.038  1.0
  H  H12  1  0.385  0.091  0.750  1.0
  H  H13  1  0.615  0.909  0.250  1.0
  O  O14  1  0.001  0.599  0.624  1.0
  O  O15  1  0.999  0.401  0.124  1.0
  O  O16  1  0.999  0.401  0.376  1.0
  O  O17  1  0.001  0.599  0.876  1.0
  O  O18  1  0.457  0.540  0.630  1.0
  O  O19  1  0.543  0.460  0.130  1.0
  O  O20  1  0.543  0.460  0.370  1.0
  O  O21  1  0.457  0.540  0.870  1.0
  O  O22  1  0.727  0.937  0.523  1.0
  O  O23  1  0.273  0.063  0.023  1.0
  O  O24  1  0.273  0.063  0.477  1.0
  O  O25  1  0.727  0.937  0.977  1.0
  O  O26  1  0.066  0.163  0.750  1.0
  O  O27  1  0.934  0.837  0.250  1.0
  O  O28  1  0.564  0.109  0.750  1.0
  O  O29  1  0.436  0.891  0.250  1.0
[/CIF]
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The compound described by Y3VH3O8 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. V(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), two equivalent Y(2), and one V(1) atom to form a mixture of corner and edge-sharing OY3V tetrahedra. In the second O site, O(2) is bonded to one Y(1), two equivalent Y(2), and one V(1) atom to form a mixture of corner and edge-sharing OY3V tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Y(1), two equivalent Y(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one V(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Y(1), two equivalent Y(2), and one H(2) atom. is represented by the CIF file [CIF]
data_Y3VH3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.609
_cell_length_b   5.984
_cell_length_c   10.431
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.056
_symmetry_Int_Tables_number   1
_cell_volume   338.105
_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
  Y  Y0  1  0.767  0.799  0.750  1.0
  Y  Y1  1  0.233  0.201  0.250  1.0
  Y  Y2  1  0.685  0.306  0.540  1.0
  Y  Y3  1  0.315  0.694  0.040  1.0
  Y  Y4  1  0.315  0.694  0.460  1.0
  Y  Y5  1  0.685  0.306  0.960  1.0
  V  V6  1  0.185  0.462  0.750  1.0
  V  V7  1  0.815  0.538  0.250  1.0
  H  H8  1  0.845  0.902  0.462  1.0
  H  H9  1  0.155  0.098  0.962  1.0
  H  H10  1  0.155  0.098  0.538  1.0
  H  H11  1  0.845  0.902  0.038  1.0
  H  H12  1  0.385  0.091  0.750  1.0
  H  H13  1  0.615  0.909  0.250  1.0
  O  O14  1  0.001  0.599  0.624  1.0
  O  O15  1  0.999  0.401  0.124  1.0
  O  O16  1  0.999  0.401  0.376  1.0
  O  O17  1  0.001  0.599  0.876  1.0
  O  O18  1  0.457  0.540  0.630  1.0
  O  O19  1  0.543  0.460  0.130  1.0
  O  O20  1  0.543  0.460  0.370  1.0
  O  O21  1  0.457  0.540  0.870  1.0
  O  O22  1  0.727  0.937  0.523  1.0
  O  O23  1  0.273  0.063  0.023  1.0
  O  O24  1  0.273  0.063  0.477  1.0
  O  O25  1  0.727  0.937  0.977  1.0
  O  O26  1  0.066  0.163  0.750  1.0
  O  O27  1  0.934  0.837  0.250  1.0
  O  O28  1  0.564  0.109  0.750  1.0
  O  O29  1  0.436  0.891  0.250  1.0
[/CIF]
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