The crystal structure described by Sr2YVCu2O7 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and three equivalent O(4) atoms. 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 to two equivalent O(1) and two equivalent O(4) atoms to form corner-sharing VO4 tetrahedra. Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 1-coordinate geometry to three equivalent Sr(1) and one V(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent V(1) atoms. In the third O site, O(2) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form a mixture of distorted face, edge, and corner-sharing OSr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-69°. In the fourth O site, O(3) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form a mixture of distorted face, edge, and corner-sharing OSr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-69°. is represented by the CIF file [CIF]
data_Sr2YVCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.637
_cell_length_b   12.637
_cell_length_c   12.637
_cell_angle_alpha   154.474
_cell_angle_beta   154.133
_cell_angle_gamma   36.660
_symmetry_Int_Tables_number   1
_cell_volume   378.933
_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  0.164  0.655  0.531  1.0
  Sr  Sr1  1  0.836  0.367  0.491  1.0
  Sr  Sr2  1  0.624  0.155  0.491  1.0
  Sr  Sr3  1  0.376  0.867  0.531  1.0
  Y  Y4  1  0.500  0.016  0.516  1.0
  Y  Y5  1  0.000  0.516  0.516  1.0
  V  V6  1  0.827  0.719  0.045  1.0
  V  V7  1  0.173  0.219  0.892  1.0
  Cu  Cu8  1  0.065  0.080  0.013  1.0
  Cu  Cu9  1  0.935  0.948  0.015  1.0
  Cu  Cu10  1  0.567  0.580  0.015  1.0
  Cu  Cu11  1  0.433  0.448  0.013  1.0
  O  O12  1  0.128  0.873  0.501  1.0
  O  O13  1  0.872  0.373  0.745  1.0
  O  O14  1  0.309  0.822  0.005  1.0
  O  O15  1  0.691  0.696  0.513  1.0
  O  O16  1  0.317  0.322  0.513  1.0
  O  O17  1  0.683  0.196  0.005  1.0
  O  O18  1  0.819  0.333  0.023  1.0
  O  O19  1  0.181  0.204  0.514  1.0
  O  O20  1  0.810  0.833  0.514  1.0
  O  O21  1  0.190  0.704  0.023  1.0
  O  O22  1  0.642  0.719  0.998  1.0
  O  O23  1  0.358  0.355  0.076  1.0
  O  O24  1  0.221  0.219  0.076  1.0
  O  O25  1  0.779  0.855  0.998  1.0
[/CIF]
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The crystal structure described by Sr2YVCu2O7 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and three equivalent O(4) atoms. 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 to two equivalent O(1) and two equivalent O(4) atoms to form corner-sharing VO4 tetrahedra. Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 1-coordinate geometry to three equivalent Sr(1) and one V(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent V(1) atoms. In the third O site, O(2) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form a mixture of distorted face, edge, and corner-sharing OSr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-69°. In the fourth O site, O(3) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form a mixture of distorted face, edge, and corner-sharing OSr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-69°. is represented by the CIF file [CIF]
data_Sr2YVCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.637
_cell_length_b   12.637
_cell_length_c   12.637
_cell_angle_alpha   154.474
_cell_angle_beta   154.133
_cell_angle_gamma   36.660
_symmetry_Int_Tables_number   1
_cell_volume   378.933
_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  0.164  0.655  0.531  1.0
  Sr  Sr1  1  0.836  0.367  0.491  1.0
  Sr  Sr2  1  0.624  0.155  0.491  1.0
  Sr  Sr3  1  0.376  0.867  0.531  1.0
  Y  Y4  1  0.500  0.016  0.516  1.0
  Y  Y5  1  0.000  0.516  0.516  1.0
  V  V6  1  0.827  0.719  0.045  1.0
  V  V7  1  0.173  0.219  0.892  1.0
  Cu  Cu8  1  0.065  0.080  0.013  1.0
  Cu  Cu9  1  0.935  0.948  0.015  1.0
  Cu  Cu10  1  0.567  0.580  0.015  1.0
  Cu  Cu11  1  0.433  0.448  0.013  1.0
  O  O12  1  0.128  0.873  0.501  1.0
  O  O13  1  0.872  0.373  0.745  1.0
  O  O14  1  0.309  0.822  0.005  1.0
  O  O15  1  0.691  0.696  0.513  1.0
  O  O16  1  0.317  0.322  0.513  1.0
  O  O17  1  0.683  0.196  0.005  1.0
  O  O18  1  0.819  0.333  0.023  1.0
  O  O19  1  0.181  0.204  0.514  1.0
  O  O20  1  0.810  0.833  0.514  1.0
  O  O21  1  0.190  0.704  0.023  1.0
  O  O22  1  0.642  0.719  0.998  1.0
  O  O23  1  0.358  0.355  0.076  1.0
  O  O24  1  0.221  0.219  0.076  1.0
  O  O25  1  0.779  0.855  0.998  1.0
[/CIF]
.