The compound described by Sr2YV2O7 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form a mixture of distorted face, corner, and edge-sharing SrO6 pentagonal pyramids. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. V(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to four equivalent Sr(1) atoms. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OY2V2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Y(1) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OY2V2 tetrahedra. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one V(1) atom. is represented by the CIF file [CIF]
data_Sr2YV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.380
_cell_length_b   13.380
_cell_length_c   13.380
_cell_angle_alpha   157.357
_cell_angle_beta   156.449
_cell_angle_gamma   32.899
_symmetry_Int_Tables_number   1
_cell_volume   368.152
_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
  Sr  Sr0  1  0.823  0.752  0.943  1.0
  Sr  Sr1  1  0.190  0.248  0.071  1.0
  Sr  Sr2  1  0.690  0.620  0.943  1.0
  Sr  Sr3  1  0.323  0.380  0.071  1.0
  Y  Y4  1  0.516  0.500  0.016  1.0
  Y  Y5  1  0.016  0.000  0.016  1.0
  V  V6  1  0.435  0.927  0.524  1.0
  V  V7  1  0.597  0.073  0.508  1.0
  V  V8  1  0.097  0.589  0.524  1.0
  V  V9  1  0.935  0.411  0.508  1.0
  O  O10  1  0.011  0.514  0.025  1.0
  O  O11  1  0.511  0.486  0.497  1.0
  O  O12  1  0.213  0.198  0.515  1.0
  O  O13  1  0.317  0.802  0.016  1.0
  O  O14  1  0.817  0.802  0.515  1.0
  O  O15  1  0.713  0.198  0.016  1.0
  O  O16  1  0.708  0.692  0.517  1.0
  O  O17  1  0.826  0.308  0.016  1.0
  O  O18  1  0.326  0.309  0.517  1.0
  O  O19  1  0.208  0.691  0.016  1.0
  O  O20  1  0.869  0.322  0.492  1.0
  O  O21  1  0.170  0.678  0.546  1.0
  O  O22  1  0.670  0.124  0.492  1.0
  O  O23  1  0.369  0.876  0.546  1.0
[/CIF]
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The compound described by Sr2YV2O7 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form a mixture of distorted face, corner, and edge-sharing SrO6 pentagonal pyramids. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. V(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to four equivalent Sr(1) atoms. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OY2V2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Y(1) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OY2V2 tetrahedra. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one V(1) atom. is represented by the CIF file [CIF]
data_Sr2YV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.380
_cell_length_b   13.380
_cell_length_c   13.380
_cell_angle_alpha   157.357
_cell_angle_beta   156.449
_cell_angle_gamma   32.899
_symmetry_Int_Tables_number   1
_cell_volume   368.152
_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
  Sr  Sr0  1  0.823  0.752  0.943  1.0
  Sr  Sr1  1  0.190  0.248  0.071  1.0
  Sr  Sr2  1  0.690  0.620  0.943  1.0
  Sr  Sr3  1  0.323  0.380  0.071  1.0
  Y  Y4  1  0.516  0.500  0.016  1.0
  Y  Y5  1  0.016  0.000  0.016  1.0
  V  V6  1  0.435  0.927  0.524  1.0
  V  V7  1  0.597  0.073  0.508  1.0
  V  V8  1  0.097  0.589  0.524  1.0
  V  V9  1  0.935  0.411  0.508  1.0
  O  O10  1  0.011  0.514  0.025  1.0
  O  O11  1  0.511  0.486  0.497  1.0
  O  O12  1  0.213  0.198  0.515  1.0
  O  O13  1  0.317  0.802  0.016  1.0
  O  O14  1  0.817  0.802  0.515  1.0
  O  O15  1  0.713  0.198  0.016  1.0
  O  O16  1  0.708  0.692  0.517  1.0
  O  O17  1  0.826  0.308  0.016  1.0
  O  O18  1  0.326  0.309  0.517  1.0
  O  O19  1  0.208  0.691  0.016  1.0
  O  O20  1  0.869  0.322  0.492  1.0
  O  O21  1  0.170  0.678  0.546  1.0
  O  O22  1  0.670  0.124  0.492  1.0
  O  O23  1  0.369  0.876  0.546  1.0
[/CIF]
.