The crystal structure described by Y2V2O7 crystallizes in the monoclinic C2/m space group. Y(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted edge-sharing YO6 pentagonal pyramids. V(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Y(1) and one V(1) atom. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent V(1) atoms to form distorted edge-sharing OY2V2 trigonal pyramids. In the third O site, O(3) is bonded in a linear geometry to two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_Y2V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.835
_cell_length_b   5.835
_cell_length_c   5.243
_cell_angle_alpha   83.868
_cell_angle_beta   83.868
_cell_angle_gamma   109.680
_symmetry_Int_Tables_number   1
_cell_volume   165.153
_cell_formula_units_Z   1
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  0.688  0.312  0.500  1.0
  Y  Y1  1  0.312  0.688  0.500  1.0
  V  V2  1  0.757  0.757  0.901  1.0
  V  V3  1  0.243  0.243  0.099  1.0
  O  O4  1  0.932  0.610  0.707  1.0
  O  O5  1  0.610  0.932  0.707  1.0
  O  O6  1  0.581  0.581  0.221  1.0
  O  O7  1  0.419  0.419  0.779  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.390  0.068  0.293  1.0
  O  O10  1  0.068  0.390  0.293  1.0
[/CIF]
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The crystal structure described by Y2V2O7 crystallizes in the monoclinic C2/m space group. Y(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted edge-sharing YO6 pentagonal pyramids. V(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Y(1) and one V(1) atom. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent V(1) atoms to form distorted edge-sharing OY2V2 trigonal pyramids. In the third O site, O(3) is bonded in a linear geometry to two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_Y2V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.835
_cell_length_b   5.835
_cell_length_c   5.243
_cell_angle_alpha   83.868
_cell_angle_beta   83.868
_cell_angle_gamma   109.680
_symmetry_Int_Tables_number   1
_cell_volume   165.153
_cell_formula_units_Z   1
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  0.688  0.312  0.500  1.0
  Y  Y1  1  0.312  0.688  0.500  1.0
  V  V2  1  0.757  0.757  0.901  1.0
  V  V3  1  0.243  0.243  0.099  1.0
  O  O4  1  0.932  0.610  0.707  1.0
  O  O5  1  0.610  0.932  0.707  1.0
  O  O6  1  0.581  0.581  0.221  1.0
  O  O7  1  0.419  0.419  0.779  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.390  0.068  0.293  1.0
  O  O10  1  0.068  0.390  0.293  1.0
[/CIF]
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