The material structure described by Sr2YAgCu2O7 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four 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. Ag(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. Cu(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. There are four inequivalent O sites. In the first O site, O(4) is bonded to four equivalent Sr(1), one Ag(1), and one Cu(1) atom to form a mixture of edge and corner-sharing OSr4CuAg octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the second O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Sr(1) and two equivalent Ag(1) atoms. In the third O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms. In the fourth O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Sr2YCu2AgO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.623
_cell_length_b   12.623
_cell_length_c   12.623
_cell_angle_alpha   155.426
_cell_angle_beta   155.411
_cell_angle_gamma   35.041
_symmetry_Int_Tables_number   1
_cell_volume   347.690
_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  0.673  0.150  0.521  1.0
  Sr  Sr1  1  0.370  0.850  0.522  1.0
  Sr  Sr2  1  0.173  0.652  0.522  1.0
  Sr  Sr3  1  0.870  0.348  0.521  1.0
  Y  Y4  1  0.014  0.500  0.514  1.0
  Y  Y5  1  0.514  0.000  0.514  1.0
  Cu  Cu6  1  0.090  0.074  0.017  1.0
  Cu  Cu7  1  0.943  0.926  0.016  1.0
  Cu  Cu8  1  0.590  0.573  0.016  1.0
  Cu  Cu9  1  0.443  0.427  0.017  1.0
  Ag  Ag10  1  0.759  0.767  0.026  1.0
  Ag  Ag11  1  0.259  0.233  0.992  1.0
  O  O12  1  0.836  0.212  0.548  1.0
  O  O13  1  0.336  0.788  0.624  1.0
  O  O14  1  0.825  0.308  0.013  1.0
  O  O15  1  0.705  0.692  0.517  1.0
  O  O16  1  0.325  0.312  0.517  1.0
  O  O17  1  0.205  0.688  0.013  1.0
  O  O18  1  0.326  0.811  0.016  1.0
  O  O19  1  0.205  0.189  0.515  1.0
  O  O20  1  0.826  0.810  0.515  1.0
  O  O21  1  0.705  0.190  0.016  1.0
  O  O22  1  0.684  0.664  0.022  1.0
  O  O23  1  0.358  0.336  0.019  1.0
  O  O24  1  0.184  0.162  0.019  1.0
  O  O25  1  0.858  0.838  0.022  1.0
[/CIF]
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The material structure described by Sr2YAgCu2O7 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four 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. Ag(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. Cu(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. There are four inequivalent O sites. In the first O site, O(4) is bonded to four equivalent Sr(1), one Ag(1), and one Cu(1) atom to form a mixture of edge and corner-sharing OSr4CuAg octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the second O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Sr(1) and two equivalent Ag(1) atoms. In the third O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms. In the fourth O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Sr2YCu2AgO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.623
_cell_length_b   12.623
_cell_length_c   12.623
_cell_angle_alpha   155.426
_cell_angle_beta   155.411
_cell_angle_gamma   35.041
_symmetry_Int_Tables_number   1
_cell_volume   347.690
_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  0.673  0.150  0.521  1.0
  Sr  Sr1  1  0.370  0.850  0.522  1.0
  Sr  Sr2  1  0.173  0.652  0.522  1.0
  Sr  Sr3  1  0.870  0.348  0.521  1.0
  Y  Y4  1  0.014  0.500  0.514  1.0
  Y  Y5  1  0.514  0.000  0.514  1.0
  Cu  Cu6  1  0.090  0.074  0.017  1.0
  Cu  Cu7  1  0.943  0.926  0.016  1.0
  Cu  Cu8  1  0.590  0.573  0.016  1.0
  Cu  Cu9  1  0.443  0.427  0.017  1.0
  Ag  Ag10  1  0.759  0.767  0.026  1.0
  Ag  Ag11  1  0.259  0.233  0.992  1.0
  O  O12  1  0.836  0.212  0.548  1.0
  O  O13  1  0.336  0.788  0.624  1.0
  O  O14  1  0.825  0.308  0.013  1.0
  O  O15  1  0.705  0.692  0.517  1.0
  O  O16  1  0.325  0.312  0.517  1.0
  O  O17  1  0.205  0.688  0.013  1.0
  O  O18  1  0.326  0.811  0.016  1.0
  O  O19  1  0.205  0.189  0.515  1.0
  O  O20  1  0.826  0.810  0.515  1.0
  O  O21  1  0.705  0.190  0.016  1.0
  O  O22  1  0.684  0.664  0.022  1.0
  O  O23  1  0.358  0.336  0.019  1.0
  O  O24  1  0.184  0.162  0.019  1.0
  O  O25  1  0.858  0.838  0.022  1.0
[/CIF]
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