The crystal structure described by Y4Cu2O7 crystallizes in the monoclinic C2/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), two equivalent O(3), and three equivalent O(1) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), two equivalent O(3), and three equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Y(2) and three equivalent Y(1) atoms to form OY4 tetrahedra that share corners with two equivalent O(2)Y4Cu2 octahedra, corners with six equivalent O(3)Y4Cu2 octahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with two equivalent O(4)Y4 tetrahedra,  an edgeedge with one O(2)Y4Cu2 octahedra,  an edgeedge with one O(3)Y4Cu2 octahedra, edges with two equivalent O(1)Y4 tetrahedra, and edges with two equivalent O(4)Y4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-67°. In the second O site, O(2) is bonded to two equivalent Y(1), two equivalent Y(2), and two equivalent Cu(1) atoms to form distorted OY4Cu2 octahedra that share corners with two equivalent O(2)Y4Cu2 octahedra, corners with four equivalent O(1)Y4 tetrahedra, corners with eight equivalent O(4)Y4 tetrahedra, edges with two equivalent O(1)Y4 tetrahedra, and faces with four equivalent O(3)Y4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Y(1), two equivalent Y(2), one Cu(1), and one Cu(2) atom to form distorted OY4Cu2 octahedra that share corners with two equivalent O(3)Y4Cu2 octahedra, corners with six equivalent O(1)Y4 tetrahedra, corners with six equivalent O(4)Y4 tetrahedra, edges with two equivalent O(3)Y4Cu2 octahedra,  an edgeedge with one O(1)Y4 tetrahedra,  an edgeedge with one O(4)Y4 tetrahedra, and faces with two equivalent O(2)Y4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Y(1) and three equivalent Y(2) atoms to form OY4 tetrahedra that share corners with four equivalent O(2)Y4Cu2 octahedra, corners with six equivalent O(3)Y4Cu2 octahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with two equivalent O(4)Y4 tetrahedra,  an edgeedge with one O(3)Y4Cu2 octahedra, edges with two equivalent O(1)Y4 tetrahedra, and edges with two equivalent O(4)Y4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-85°. is represented by the CIF file [CIF]
data_Y4Cu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.386
_cell_length_b   6.386
_cell_length_c   8.341
_cell_angle_alpha   71.377
_cell_angle_beta   71.377
_cell_angle_gamma   33.488
_symmetry_Int_Tables_number   1
_cell_volume   176.928
_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  0.644  0.644  0.163  1.0
  Y  Y1  1  0.337  0.337  0.321  1.0
  Y  Y2  1  0.663  0.663  0.679  1.0
  Y  Y3  1  0.356  0.356  0.837  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.252  0.252  0.120  1.0
  O  O7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.011  0.011  0.712  1.0
  O  O9  1  0.723  0.723  0.386  1.0
  O  O10  1  0.277  0.277  0.614  1.0
  O  O11  1  0.989  0.989  0.288  1.0
  O  O12  1  0.748  0.748  0.880  1.0
[/CIF]
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The crystal structure described by Y4Cu2O7 crystallizes in the monoclinic C2/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), two equivalent O(3), and three equivalent O(1) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), two equivalent O(3), and three equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Y(2) and three equivalent Y(1) atoms to form OY4 tetrahedra that share corners with two equivalent O(2)Y4Cu2 octahedra, corners with six equivalent O(3)Y4Cu2 octahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with two equivalent O(4)Y4 tetrahedra,  an edgeedge with one O(2)Y4Cu2 octahedra,  an edgeedge with one O(3)Y4Cu2 octahedra, edges with two equivalent O(1)Y4 tetrahedra, and edges with two equivalent O(4)Y4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-67°. In the second O site, O(2) is bonded to two equivalent Y(1), two equivalent Y(2), and two equivalent Cu(1) atoms to form distorted OY4Cu2 octahedra that share corners with two equivalent O(2)Y4Cu2 octahedra, corners with four equivalent O(1)Y4 tetrahedra, corners with eight equivalent O(4)Y4 tetrahedra, edges with two equivalent O(1)Y4 tetrahedra, and faces with four equivalent O(3)Y4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Y(1), two equivalent Y(2), one Cu(1), and one Cu(2) atom to form distorted OY4Cu2 octahedra that share corners with two equivalent O(3)Y4Cu2 octahedra, corners with six equivalent O(1)Y4 tetrahedra, corners with six equivalent O(4)Y4 tetrahedra, edges with two equivalent O(3)Y4Cu2 octahedra,  an edgeedge with one O(1)Y4 tetrahedra,  an edgeedge with one O(4)Y4 tetrahedra, and faces with two equivalent O(2)Y4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Y(1) and three equivalent Y(2) atoms to form OY4 tetrahedra that share corners with four equivalent O(2)Y4Cu2 octahedra, corners with six equivalent O(3)Y4Cu2 octahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with two equivalent O(4)Y4 tetrahedra,  an edgeedge with one O(3)Y4Cu2 octahedra, edges with two equivalent O(1)Y4 tetrahedra, and edges with two equivalent O(4)Y4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-85°. is represented by the CIF file [CIF]
data_Y4Cu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.386
_cell_length_b   6.386
_cell_length_c   8.341
_cell_angle_alpha   71.377
_cell_angle_beta   71.377
_cell_angle_gamma   33.488
_symmetry_Int_Tables_number   1
_cell_volume   176.928
_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  0.644  0.644  0.163  1.0
  Y  Y1  1  0.337  0.337  0.321  1.0
  Y  Y2  1  0.663  0.663  0.679  1.0
  Y  Y3  1  0.356  0.356  0.837  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.252  0.252  0.120  1.0
  O  O7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.011  0.011  0.712  1.0
  O  O9  1  0.723  0.723  0.386  1.0
  O  O10  1  0.277  0.277  0.614  1.0
  O  O11  1  0.989  0.989  0.288  1.0
  O  O12  1  0.748  0.748  0.880  1.0
[/CIF]
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